SCHEMBL9837911

SCHEMBL9837911

COCCOCOCc1cccc2c1Cc1c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn(-c3ccccc3)c1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.33
PIK3R2 O00459 10/20 0.33
PIK3CA P42336 10/20 0.33
PIK3CB P42338 10/20 0.33
PIK3CG P48736 10/20 0.33
PIK3R5 Q8WYR1 10/20 0.33
PIK3R3 Q92569 10/20 0.33
F10 P00742 1/20 0.32
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
RIPK1 Q13546 1/20 0.32
MALT1 Q9UDY8 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9175434 0.85 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9173500 0.84 PIK3CD (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9173354 0.83 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9170664 0.82 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9171740 0.82 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9176041 0.81 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9173537 0.81 KDR (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9256845 0.81 PIK3CD (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9836754 0.81 ALDH1A1 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9173767 0.80 PIK3CD (0.35) 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-0422051-A1 CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-04-17 EP disclosed
WO-1989012630-A1 CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed
EP-0347773-A1 Condensed Pyrazole 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1989-12-27 EP disclosed