SCHEMBL9832014

SCHEMBL9832014

Cc1cccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccc3)c3c2-c2ccccc2SC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TP53 P04637 8/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10568020 0.95 POLB (0.42) POLBTP53MAPTLMNARAB9A
SCHEMBL8111901 0.92 TP53 (0.42) TP53MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9832082 0.91 MAPT (0.39) POLBTP53CCNA2CDK2CCNA1
SCHEMBL9833687 0.91 TP53 (0.41) POLBTP53MAPTLMNARAB9A
SCHEMBL9831587 0.91 TP53 (0.40) TP53MAPTLMNARAB9AL3MBTL1
SCHEMBL9834138 0.91 TP53 (0.42) TP53MAPK13MAPK12MAPK11MAPK14
SCHEMBL9833424 0.90 TP53 (0.38) POLBTP53PIK3CDPIK3R2PIK3CA
SCHEMBL9833720 0.90 TP53 (0.38) POLBTP53MAPK13MAPK12MAPK11
SCHEMBL9833522 0.90 TP53 (0.40) POLBTP53CCNA2CDK2CCNA1
SCHEMBL9316680 0.90 MAPT (0.45) TP53PIK3CDPIK3R2PIK3CAPIK3CB

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 3 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 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