SCHEMBL9702854

SCHEMBL9702854

COc1cc(S(C)(=O)=O)ccc1-c1nc2cc3nc[nH]c(=O)c3cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
PDE5A O76074 2/20 0.44
SCD O00767 4/20 0.41
NPBWR1 P48145 1/20 0.40
SRC P12931 1/20 0.40
CBFB Q13951 1/20 0.40
AMY1A P0DUB6 1/20 0.39

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
SCHEMBL9704436 0.83 PDE5A (0.43) PDE5ASRCAMY1A
SCHEMBL9703335 0.82 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10853376 0.81 CDK4 (0.46) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9703323 0.81 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9702805 0.79 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10688935 0.78 FGFR1 (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9704494 0.76 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10373442 0.76 PDE3B (0.48) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL10765238 0.76 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL9704446 0.75 CDK4 (0.42) CDK4CCNA2CCND1CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed