SCHEMBL935596

SCHEMBL935596

CC(C)(C)OC(=O)n1c(-c2cc(NC(=O)c3cnn(Cc4ccc(Cl)s4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.39
RPS6KA3 P51812 2/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
EED O75530 1/20 0.35
NR1H3 Q13133 3/20 0.34
RPS6KA2 Q15349 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34

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
SCHEMBL935011 0.93 RPS6KA3 (0.34) NR1H2RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL935471 0.92 RPS6KA3 (0.45) NR1H2RPS6KA3NR1H3RPS6KA2RPS6KA1
SCHEMBL935845 0.91 RPS6KA3 (0.33) NR1H2RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL936942 0.88 RPS6KA3 (0.31) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1057502 0.87 RPS6KA3 (0.31) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL935188 0.87 DGAT1 (0.33) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL936272 0.86 TAS2R8 (0.44)
SCHEMBL949198 0.85 RPS6KA2 (0.42) NR1H2RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL948501 0.85 SCD (0.46) NR1H2RPS6KA3RPS6KA2
SCHEMBL12913263 0.84 RPS6KA3 (0.38) NR1H2RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011010083-A1 INDOLYL-PYRIDONE DERIVATIVES VERNALIS (R & D) LTD (GB) 2011-01-27 WO disclosed