SCHEMBL9523480

SCHEMBL9523480

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CSc1ccc(NC(=O)C=O)cc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3R5 Q8WYR1 2/20 0.34
PIK3R3 Q92569 2/20 0.34
TP53 P04637 6/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IKBKB O14920 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 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
SCHEMBL9523934 0.96 IKBKB (0.37) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9523052 0.94 RIPK1 (0.37) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9523576 0.89 TP53 (0.34) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9316496 0.89 MEN1 (0.40) MAPTTP53LMNAALDH1A1RIPK1
SCHEMBL9316080 0.89 TP53 (0.37) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9522966 0.88 TP53 (0.34) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9524294 0.88 ADORA3 (0.34) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9316111 0.87 PIK3CD (0.38) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9316680 0.87 MAPT (0.45) MAPTPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9523890 0.87 TP53 (0.35) MAPTPIK3CDPIK3R2PIK3CAPIK3CB

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 7 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 claimed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP claimed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO claimed
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