SCHEMBL9313780

SCHEMBL9313780

CC1(C)CC(=O)Nc2cc(NC(=O)c3ccnc4ccccc34)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
NR2E1 Q9Y466 3/20 0.45
ACLY P53396 1/20 0.44
RORA P35398 1/20 0.43
CIT O14578 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42

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
SCHEMBL9312251 0.80 TNKS (0.52) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL3145019 0.80 TNKS (0.56) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL14073580 0.79 KMT2A (0.66) MALT1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL23674980 0.78 MAP4K1 (0.61) NR2E1ACLYMAP4K1ITGB1ITGA4
SCHEMBL30100785 0.78 MAP4K1 (0.61) NR2E1ACLYMAP4K1ITGB1ITGA4
SCHEMBL9312876 0.77 POLB (0.57) TNKSTNKS2KMT2AMEN1
SCHEMBL9312791 0.77 TNKS (0.49) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL14073807 0.77 KMT2A (0.54) ACLYMALT1ITGB1ITGA4CRBN
SCHEMBL9313154 0.76 TNKS (0.50) TNKSTNKS2CITMAP3K7RIPK2
SCHEMBL9312847 0.76 TNKS (0.48) TNKSTNKS2CITMAP3K7RIPK2

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
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed