SCHEMBL5486377

SCHEMBL5486377

COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)c1cnc(C)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
SMO Q99835 7/20 0.43
KCNH2 Q12809 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL5487370 0.88 MAPK14 (0.44) MAPK14SMOKCNH2NR1H4
SCHEMBL4417279 0.88 MAPT (0.41) MAPK14SMO
SCHEMBL2842154 0.87 MAPK14 (0.45) MAPK14SMO
SCHEMBL14534467 0.86 NR1H4 (0.49) MAPK14SMOKCNH2NR1H4
SCHEMBL4417658 0.81 MAPT (0.42) MAPK14SMOKCNH2
SCHEMBL4410077 0.81 MAPK14 (0.43) MAPK14SMOKCNH2NR1H4
SCHEMBL4410752 0.78 NPC1 (0.46) MAPK14
SCHEMBL4416273 0.78 MAPK14 (0.41) MAPK14SMO
SCHEMBL4408412 0.78 MAPK14 (0.44) MAPK14SMOKCNH2
SCHEMBL5496963 0.77 MAPK14 (0.44) MAPK14SMOKCNH2

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