SCHEMBL18792176

SCHEMBL18792176

Cc1noc2c1-c1ccc(-c3cnn(C)c3)cc1C(=O)N[C@H]2CC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.52
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
WNT1 P04628 1/20 0.40
RET P07949 5/20 0.37
IRAK1 P51617 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TTK P33981 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
SCHEMBL16738332 0.82 BRD4 (0.49) BRD4GPR119
SCHEMBL16738327 0.82 BRD4 (0.51) BRD4GSK3BDYRK1AWNT1RET
SCHEMBL16738328 0.82 BRD4 (0.51) BRD4GSK3BDYRK1AWNT1RET
SCHEMBL16738353 0.82 BRD4 (0.54) BRD4
SCHEMBL16738330 0.81 BRD4 (0.45) BRD4GPR119
SCHEMBL9932378 0.80 BRD4 (0.56) BRD4
SCHEMBL16738318 0.78 BRD4 (0.47) BRD4
SCHEMBL16738316 0.78 BRD4 (0.47) BRD4
SCHEMBL16738324 0.77 BRD4 (0.45) BRD4GSK3BDYRK1AWNT1RET
SCHEMBL16738325 0.75 BRD4 (0.41) BRD4

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
EP-2859000-B1 BENZO[C]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-04-26 EP disclosed