SCHEMBL9406540

SCHEMBL9406540

CCCCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.83
ALDH1A1 P00352 3/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2C19 P33261 3/20 0.69
CYP1A2 P05177 1/20 0.69
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2D6 P10635 1/20 0.63
HSD17B10 Q99714 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
NR2F2 P24468 1/20 0.62
PABPC1 P11940 1/20 0.53

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
SCHEMBL9844925 0.95 POLB (0.81) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL10394217 0.94 POLB (0.78) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL16084377 0.94 POLB (0.78) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL4222552 0.94 POLB (0.78) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL21765989 0.91 POLB (0.77) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL516379 0.91 POLB (1.00) POLBALDH1A1CYP3A4CYP2C19CYP1A2
Theophylline Anhydrous SCHEMBL10759281 0.89 POLB (0.66) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL8595449 0.87 POLB (0.71) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL6243622 0.87 ALDH1A1 (0.71) POLBALDH1A1CYP3A4CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6496307 0.85 POLB (0.69) POLBALDH1A1CYP3A4CYP2C19CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106995797-A Monoclonal antibody STRO 4 中胚有限公司 2017-08-01 CN disclosed
CN-104678106-B monoclonal antibody STRO-4 中胚有限公司 2016-12-07 CN disclosed
CN-104678106-A Monoclonal antibody STRO-4 MESOBLAST INC 2015-06-03 CN disclosed
CN-102257388-B Monoclonal antibody stro-4 ANGIOBLAST SYSTEMS INC 2015-03-18 CN disclosed
CN-102257388-A Monoclonal antibody stro-4 ANGIOBLAST SYSTEMS INC 2011-11-23 CN disclosed
US-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
EP-0430300-A2 Xanthine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-05 EP disclosed