SCHEMBL3250899

SCHEMBL3250899

c1cc(-n2ccnc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.71
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.65
ENPP2 Q13822 1/20 0.65
MKNK1 Q9BUB5 1/20 0.65
MKNK2 Q9HBH9 1/20 0.65
NOTUM Q6P988 1/20 0.65
MEN1 O00255 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP2A6 P11509 1/20 0.57
BAZ2B Q9UIF8 1/20 0.55
CYP19A1 P11511 3/20 0.53
CYP51A1 Q16850 1/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
IDO1 P14902 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2532397 0.90 LMNA (0.78) CYP3A4LMNAMAPTENPP2MKNK1
Hydrochloric Acid SCHEMBL28701756 0.87 LMNA (0.75) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2533488 0.83 TSHR (0.84) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL451 0.83 CYP3A4 (1.00) CYP3A4LMNAMAPTENPP2MKNK1
Lithium Ion SCHEMBL19462652 0.82 LMNA (0.62) CYP3A4LMNAMAPTENPP2MKNK1
Potassium Ion SCHEMBL2096765 0.82 LMNA (0.62) CYP3A4LMNAMAPTENPP2MKNK1
Pyridine SCHEMBL28418720 0.82 CYP3A4 (0.88) CYP3A4LMNAMAPTENPP2MKNK1
Hydrochloric Acid SCHEMBL8898731 0.81 CYP3A4 (0.95) CYP3A4LMNAMAPTENPP2MKNK1
Ammonia Solution, Strong SCHEMBL3848736 0.81 CYP3A4 (0.95) CYP3A4LMNAMAPTENPP2MKNK1
Bromide SCHEMBL1954236 0.81 CYP3A4 (0.95) CYP3A4LMNAMAPTENPP2MKNK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987280-B Aromatic cadmium sulfonate complex, preparation method and application thereof 河南科技学院 2020-11-03 CN claimed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
WO-2024008116-A1 HUMAN NASAL ORGANOIDS AND METHODS OF MAKING AND METHODS OF USE THEREOF VERSITECH LIMITED (CN) 2024-01-11 WO disclosed
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
WO-2023030158-A1 ALVEOLAR ORGANOIDS, METHODS OF MAKING AND USES THEREOF VERSITECH LIMITED (CN) 2023-03-09 WO disclosed
WO-2022078416-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 WO disclosed
EP-3775162-A1 MATURE AIRWAY ORGANOIDS, METHODS OF MAKING AND USES THEREOF The University of Hong Kong (CN) 2021-02-17 EP disclosed
CN-107987280-B Aromatic cadmium sulfonate complex, preparation method and application thereof 河南科技学院 2020-11-03 CN disclosed
CN-111712244-A Compositions or methods for treating or preventing corneal endothelial disorders comprising (T) EW-7197 学校法人同志社 2020-09-25 CN disclosed
CN-110944668-A Medicament comprising an mTOR inhibitor for treating or preventing ocular symptoms, disorders or diseases and uses thereof 学校法人同志社 2020-03-31 CN disclosed
US-4833242-A ANTIBIOTICS, BACTERICIDES DAIICHI SEIYAKU CO., LTD. (JP) 1989-05-23 US disclosed
US-4810800-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
CN-87103323-A The method for preparing new Dopamine HCL, hydroxylase inhibitors 1988-02-03 CN disclosed
EP-0244803-A2 Novel dopamine beta hydroxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-11-11 EP disclosed
EP-0159011-A2 Cephalosporin derivatives, process for preparing them and pharmaceutical compositions containing them DAIICHI SEIYAKU CO., LTD. (JP) 1985-10-23 EP disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP disclosed