SCHEMBL9905322

SCHEMBL9905322

Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)n1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GRM5 P41594 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
KMT2A Q03164 1/20 0.30
GABRA1 P14867 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
SCHEMBL9901297 0.93 BRD4 (0.31) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9901203 0.92 GABRG2 (0.30) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9900820 0.91
SCHEMBL9902504 0.91 GRM5 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9905118 0.86 MAOB (0.37)
SCHEMBL9112137 0.86 MAPK14 (0.33) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL9902012 0.85
SCHEMBL9901254 0.85 NMT1 (0.39)
SCHEMBL9905454 0.85 JMJD6 (0.33)
SCHEMBL9905052 0.84 BRD4 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2

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