SCHEMBL9834202

SCHEMBL9834202

COc1ccc(-n2nc(C(=O)CC#N)c3c2-c2ccccc2OC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIK3R2 O00459 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3R5 Q8WYR1 1/20 0.45
PIK3R3 Q92569 1/20 0.45
CCNA2 P20248 6/20 0.44
CDK2 P24941 6/20 0.44
CCNA1 P78396 6/20 0.44
MAPT P10636 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
F10 P00742 5/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
MAOB P27338 1/20 0.39
RAB9A P51151 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
SCHEMBL9834058 0.89 PTGS1 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833914 0.89 PTGS1 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831535 0.89 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832311 0.87 PTGS1 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833649 0.87 PTGS1 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832768 0.82 CCNA2 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832344 0.81 PIK3CD (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9835879 0.80 ALDH1A1 (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833834 0.79 PTGS1 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833824 0.78 SMN1; SMN2 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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