SCHEMBL357995

SCHEMBL357995

Nc1n[c]ccn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4790620 0.67
SCHEMBL446545 0.67
SCHEMBL184122 0.65 CYP2A6 (0.30)
SCHEMBL16568924 0.64
SCHEMBL8653698 0.63
SCHEMBL790303 0.62
SCHEMBL448358 0.62
SCHEMBL788857 0.62
SCHEMBL5797590 0.62
SCHEMBL8921894 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US claimed
US-20240092791-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US claimed
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US claimed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US claimed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP claimed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN claimed
EP-4263549-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-25 EP claimed
EP-4263548-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-25 EP claimed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US claimed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US claimed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US claimed
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO claimed
WO-1992018478-A1 HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-10-29 WO claimed
EP-0218323-B1 2-PROPADIENYL PENICILLIN DERIVATIVES AND INTERMEDIATES Baldwin, Jack Edward (GB) 1991-11-06 EP claimed
US-4769325-A 2-(Allenyl)penicillins BALDWIN JACK E (GB) 1988-09-06 US claimed
EP-0222598-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1987-05-20 EP claimed
EP-0218323-A1 2-Propadienyl penicillin derivatives and intermediates Baldwin, Jack Edward (GB) 1987-04-15 EP claimed
EP-0092722-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES BAYER AG (DE) 1986-09-10 EP claimed
EP-0056486-B1 PHENYLPIPERAZINYL-PROPANOLES OF HETARYLPHENOLS, THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1985-11-06 EP claimed
US-4515789-A BACTERICIDES PRESERVATIVES, GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DE) 1985-05-07 US claimed