SCHEMBL15957196

SCHEMBL15957196

CN(C)c1ccc(C(=O)Nc2cccc(-c3cn(C)c(=O)c4[nH]ccc34)c2CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CECR2 Q9BXF3 4/20 0.55
▸ BRD4 O60885 15/20 0.52
▸ BRD9 Q9H8M2 2/20 0.49
▸ TAF1 P21675 2/20 0.48
▸ TRIM24 O15164 1/20 0.48
▸ SMARCA2 P51531 1/20 0.48
▸ SMARCA4 P51532 1/20 0.48
▸ BRPF1 P55201 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ PBRM1 Q86U86 1/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ BAZ2B Q9UIF8 1/20 0.48
▸ BAZ2A Q9UIF9 1/20 0.48

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
SCHEMBL15957166 0.89 CECR2 (0.57) CECR2BRD4BRD9TAF1
SCHEMBL15957213 0.88 CECR2 (0.56) CECR2BRD4BRD9TAF1
SCHEMBL15957091 0.88 CECR2 (0.55) CECR2BRD4BRD9TAF1TRIM24
SCHEMBL15956839 0.88 CECR2 (0.55) CECR2BRD4BRD9TAF1
SCHEMBL15964609 0.88 BRD9 (0.59) CECR2BRD4BRD9TAF1
SCHEMBL15957032 0.86 CECR2 (0.54) CECR2BRD4BRD9TAF1
SCHEMBL15956937 0.85 CECR2 (0.53) CECR2BRD4BRD9TAF1TRIM24
SCHEMBL15957174 0.85 CECR2 (0.53) CECR2BRD4BRD9TAF1
SCHEMBL15956889 0.84 CECR2 (0.51) CECR2BRD4BRD9TAF1
SCHEMBL15956878 0.82 CECR2 (0.52) CECR2BRD4BRD9TAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014125408-A2 SUBSTITUTED 1H-PYRROLOPYRIDINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 — — WO claimed
WO-2014125408-A2 SUBSTITUTED 1H-PYRROLOPYRIDINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 — — WO disclosed
Send feedback