SCHEMBL9316016

SCHEMBL9316016

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1COc1ccc(CN3CCOCC3)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.48
PIK3R2 O00459 15/20 0.48
PIK3CA P42336 15/20 0.48
PIK3CB P42338 15/20 0.48
PIK3CG P48736 15/20 0.48
PIK3R5 Q8WYR1 15/20 0.48
PIK3R3 Q92569 15/20 0.48
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
FAAH O00519 2/20 0.39
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK2 P24941 1/20 0.37
AURKB Q96GD4 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9523867 0.96 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9524031 0.94 PIK3CD (0.44) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9523411 0.91 PIK3CD (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9178148 0.88 PIK3CD (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9168969 0.87 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9835144 0.84 PIK3CD (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9833961 0.84 PIK3CD (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834220 0.84 NR1H4 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834320 0.84 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831070 0.84 NR1H4 (0.41) HIF1ACDK2

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 11 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
US-5352676-A Morphalinomethyl-substituted 1-phenyl-indero-[1,2-c]pyrazol-3-yl derivatives of 2-cyano-3-oxo-propanamides useful in the treatment of rheumatoid arthritis FARMITALIA CARLO ERBA SRL (IT) 1994-10-04 US disclosed
EP-0434807-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS ERBA CARLO SPA (IT) 1994-06-08 EP disclosed
US-5260328-A Phenyl-indenopurazol 3-oxo-propanamide derivatives useful in the treatment of rheumatoid arthritis FARMITALIA CARLO ERBA SRL (IT) 1993-11-09 US disclosed
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5206258-A Treating autoimmune disorders FARMITALIA CARLO ERBA S.R.L. (IT) 1993-04-27 US disclosed
US-5196445-A HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES FARMITALIA CARLO ERBA SRL (IT) 1993-03-23 US 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-1991001309-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS FARMITALIA CARLO ERBA S.R.L. (IT) 1991-02-07 WO 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