SCHEMBL9523800

SCHEMBL9523800

N#CCC(=O)c1nn(-c2ccccc2)c2c1COc1c(CN3CCOCC3)cc(F)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.43
PIK3R2 O00459 20/20 0.43
PIK3CA P42336 20/20 0.43
PIK3CB P42338 20/20 0.43
PIK3CG P48736 20/20 0.43
PIK3R5 Q8WYR1 20/20 0.43
PIK3R3 Q92569 20/20 0.43

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
SCHEMBL9522313 0.90 PIK3CD (0.53) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9316277 0.84 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9523041 0.83 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9523571 0.81 PIK3CD (0.54) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833772 0.76 CYP1A2 (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833914 0.74 PTGS1 (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832311 0.73 PTGS1 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9832563 0.72 CCNA2 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834213 0.71 NR1H4 (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9835879 0.71 ALDH1A1 (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-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