SCHEMBL9901203

SCHEMBL9901203

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Br)n1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL9905322 0.92 GABRG2 (0.31) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9905063 0.92 GRM5 (0.31) GRM5
SCHEMBL9901297 0.91 BRD4 (0.31) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9901647 0.86 MAOB (0.35)
SCHEMBL9110167 0.85 MAPK14 (0.44)
SCHEMBL9901030 0.85 MAPKAPK2 (0.38)
SCHEMBL9902504 0.85 GRM5 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9902349 0.84 MAOB (0.36)
SCHEMBL9905052 0.84 BRD4 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9905649 0.84 MAPK14 (0.46) GRM5

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
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO claimed