SCHEMBL5481690

SCHEMBL5481690

Cc1ncccc1C(=O)N(NC(=O)c1cc(F)cc(N2CCOCC2)c1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.62
SMO Q99835 4/20 0.53
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
DDR2 Q16832 1/20 0.40
P2RY12 Q9H244 1/20 0.39
PRKDC P78527 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
GRM5 P41594 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL4411010 0.80 MAPK14 (0.73) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5481692 0.78 MAPK14 (0.77) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5481697 0.78 MAPK14 (0.71) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL14534470 0.73 MAPK14 (0.67) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551323 0.73 MAPK14 (0.72) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551331 0.73 MAPK14 (0.71) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5490044 0.71 MAPK14 (0.74) MAPK14SMO
SCHEMBL4418530 0.70 MAPK14 (0.61) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5489948 0.69 MAPK14 (0.48) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551322 0.67 MAPK14 (0.61) MAPK14SMO

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed