SCHEMBL15964609

SCHEMBL15964609

Cn1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)O)cc3)c2CO)c2cc[nH]c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 6/20 0.59
▸ CECR2 Q9BXF3 4/20 0.55
▸ BRD4 O60885 10/20 0.51
▸ TAF1 P21675 2/20 0.48
▸ HDAC1 Q13547 1/20 0.45
▸ BTK Q06187 1/20 0.45

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
SCHEMBL15957213 0.94 CECR2 (0.56) BRD9CECR2BRD4TAF1BTK
SCHEMBL15956839 0.91 CECR2 (0.55) BRD9CECR2BRD4TAF1HDAC1
SCHEMBL15956937 0.91 CECR2 (0.53) BRD9CECR2BRD4TAF1BTK
SCHEMBL15957166 0.89 CECR2 (0.57) BRD9CECR2BRD4TAF1HDAC1
SCHEMBL15957091 0.88 CECR2 (0.55) BRD9CECR2BRD4TAF1
SCHEMBL15957196 0.88 CECR2 (0.55) BRD9CECR2BRD4TAF1
SCHEMBL15957032 0.86 CECR2 (0.54) BRD9CECR2BRD4TAF1BTK
SCHEMBL15964519 0.86 CECR2 (0.53) BRD9CECR2BRD4TAF1BTK
SCHEMBL15956889 0.85 CECR2 (0.51) BRD9CECR2BRD4TAF1HDAC1
SCHEMBL15957174 0.85 CECR2 (0.53) BRD9CECR2BRD4TAF1BTK

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