SCHEMBL9832344

SCHEMBL9832344

COc1ccc(-n2nc(C(=O)CC#N)c3c2-c2ccccc2SC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43
PIK3R3 Q92569 1/20 0.43
THRB P10828 1/20 0.43
CCNA2 P20248 5/20 0.42
CDK2 P24941 5/20 0.42
CCNA1 P78396 5/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 6/20 0.42
MAPT P10636 5/20 0.42
F10 P00742 2/20 0.41

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
SCHEMBL9833791 0.89 THRB (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2840559 0.89 TP53 (0.48) THRBPTGS1PTGS2TP53MAPT
SCHEMBL9834278 0.89 TP53 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831045 0.87 MAPT (0.50) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834290 0.87 TP53 (0.52) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12230898 0.86 CCNA2 (0.56) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833362 0.84 PTGS1 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7897 0.83 CCNA2 (0.59) THRBCCNA2CDK2CCNA1TP53
SCHEMBL9833432 0.82 MAPT (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834202 0.81 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed