SCHEMBL9905649

SCHEMBL9905649

Cc1c(OCc2ccc(F)cc2)c(Br)c(=O)n(-c2ccnc(-c3ccnc(C(C)C)n3)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.46
SMN1; SMN2 Q16637 2/20 0.32
PTGER1 P34995 2/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
MCHR1 Q99705 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL9905213 0.92 MAPK14 (0.39) MAPK14SMN1; SMN2MCHR1GRM5
SCHEMBL9905679 0.90 MAPK14 (0.38) MAPK14SMN1; SMN2PTGER1CYP2C9LMNA
SCHEMBL9901165 0.89 MAPK14 (0.48) MAPK14
SCHEMBL9901647 0.87 MAOB (0.35) MAPK14POLBMAPT
SCHEMBL9109911 0.85 MAPK14 (0.66) MAPK14
SCHEMBL9902349 0.85 MAOB (0.36) SMN1; SMN2PTGER1CYP2C9MAPTHTT
SCHEMBL9905675 0.85 MAPK14 (0.44) MAPK14SMN1; SMN2PTGER1CYP2C9
SCHEMBL9901203 0.84 GABRG2 (0.30) GRM5
SCHEMBL9111548 0.81 MAPK14 (0.52) MAPK14SMN1; SMN2PTGER1CYP2C9LMNA
SCHEMBL9902403 0.81 MAPK14 (0.47) MAPK14

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 disclosed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed