SCHEMBL9316680

SCHEMBL9316680

Cc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CS2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 6/20 0.45
LMNA P02545 4/20 0.45
PIK3CD O00329 2/20 0.37
PIK3R2 O00459 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3R5 Q8WYR1 2/20 0.37
PIK3R3 Q92569 2/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10571543 0.93 RIPK1 (0.42) MAPTTP53LMNARIPK1ALDH1A1
SCHEMBL9833687 0.91 TP53 (0.41) MAPTTP53LMNARIPK1KDM4E
SCHEMBL9831587 0.91 TP53 (0.40) MAPTTP53LMNA
SCHEMBL9832014 0.90 POLB (0.44) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL10568020 0.90 POLB (0.42) MAPTTP53LMNAALDH1A1
SCHEMBL9316111 0.90 PIK3CD (0.38) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9316496 0.90 MEN1 (0.40) MAPTTP53LMNARIPK1ALDH1A1
SCHEMBL9523890 0.90 TP53 (0.35) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9831280 0.90 PIK3CD (0.37) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9832608 0.90 NPC1 (0.40) MAPTTP53LMNARIPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434807-B1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS ERBA CARLO SPA (IT) 1994-06-08 EP claimed
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 claimed
EP-0434807-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS. ERBA CARLO SPA (IT) 1991-07-03 EP claimed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP claimed
WO-1991001309-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS FARMITALIA CARLO ERBA S.R.L. (IT) 1991-02-07 WO claimed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 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
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
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
EP-0434807-A1 HETEROARYL-3-OXO-PROPANENITRILE DERIVATIVES USEFUL IN STIMULATING MYELOPOIESIS. ERBA CARLO SPA (IT) 1991-07-03 EP disclosed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 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
US-4816467-A BACTERICIDES, VIRICIDES FARMITALIA CARLO ERBA S.R.L (IT) 1989-03-28 US disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP disclosed