SCHEMBL9316111

SCHEMBL9316111

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.38
PIK3R2 O00459 6/20 0.38
PIK3CA P42336 6/20 0.38
PIK3CB P42338 6/20 0.38
PIK3CG P48736 6/20 0.38
PIK3R5 Q8WYR1 6/20 0.38
PIK3R3 Q92569 6/20 0.38
TP53 P04637 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AURKA O14965 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9833784 0.91 PTGS1 (0.40) TP53MAPTPTGS1PTGS2MAPK13
SCHEMBL9833720 0.90 TP53 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9834996 0.90 TP53 (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831280 0.90 PIK3CD (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9316496 0.90 MEN1 (0.40) TP53MAPTLMNAALDH1A1MAPK13
SCHEMBL9523890 0.90 TP53 (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9316680 0.90 MAPT (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8111901 0.90 TP53 (0.42) TP53MAPTPTGS1PTGS2
SCHEMBL9522966 0.88 TP53 (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9831789 0.88 TP53 (0.41) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0423269-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES ERBA CARLO SPA (IT) 1994-01-12 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-1990011760-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN THE TREATMENT OF RHEUMATOID ARTHRITIS AND OTHER AUTOIMMUNE DISEASES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-10-18 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