SCHEMBL9524031

SCHEMBL9524031

N#CC(C(=O)Nc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2)c2c1COc1ccc(CN3CCOCC3)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.44
PIK3R2 O00459 14/20 0.44
PIK3CA P42336 14/20 0.44
PIK3CB P42338 14/20 0.44
PIK3CG P48736 14/20 0.44
PIK3R5 Q8WYR1 14/20 0.44
PIK3R3 Q92569 14/20 0.44
KCNH2 Q12809 1/20 0.42
RAPGEF3 O95398 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
PRKD3 O94806 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9316016 0.94 PIK3CD (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9523867 0.90 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833530 0.88 RIPK1 (0.41) SMN1; SMN2KDM4ENPC1MAPTTSHR
SCHEMBL9523411 0.87 PIK3CD (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832438 0.86 MAPT (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834162 0.84 CCNA2 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831070 0.84 NR1H4 (0.41) MAPTTSHRALDH1A1HIF1A
SCHEMBL9831823 0.84 MAPT (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9835144 0.83 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9178148 0.83 PIK3CD (0.49) 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-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed