SCHEMBL9831991

SCHEMBL9831991

Cc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)NCc3ccccc3)nn1-c1ccccc1)CS2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
TP53 P04637 5/20 0.52
LMNA P02545 4/20 0.51
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36

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
SCHEMBL9833391 0.90 MAPT (0.46) MAPTTP53LMNA
SCHEMBL9834840 0.90 MAPT (0.44) MAPTTP53LMNA
SCHEMBL9316737 0.90 TP53 (0.49) MAPTTP53LMNA
SCHEMBL9834098 0.90 DHODH (0.41) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9316680 0.89 MAPT (0.45) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9834152 0.87 MAPT (0.44) MAPTTP53LMNA
SCHEMBL9831377 0.86 TP53 (0.45) MAPTTP53LMNA
SCHEMBL9831845 0.85 TP53 (0.57) MAPTTP53
SCHEMBL9833365 0.85 TP53 (0.55) MAPTTP53
SCHEMBL9834096 0.85 MAPT (0.49) MAPTTP53LMNAPIK3CDPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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