SCHEMBL5487370

SCHEMBL5487370

COc1c(NC(=O)c2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
SMO Q99835 9/20 0.44
NR1H4 Q96RI1 1/20 0.42
GSK3A P49840 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL5486377 0.88 MAPK14 (0.44) MAPK14SMONR1H4KCNH2
SCHEMBL2842154 0.88 MAPK14 (0.45) MAPK14SMOGSK3A
SCHEMBL14534467 0.87 NR1H4 (0.49) MAPK14SMONR1H4KCNH2
SCHEMBL4417658 0.86 MAPT (0.42) MAPK14SMOGSK3AKCNH2
SCHEMBL4416273 0.82 MAPK14 (0.41) MAPK14SMOGSK3A
SCHEMBL5481396 0.82 PARP10 (0.58) MAPK14SMOKCNH2PARP10
SCHEMBL4408195 0.82 PARP10 (0.48) MAPK14SMOKCNH2PARP10
SCHEMBL14534669 0.79 MAPK14 (0.44) MAPK14SMOKCNH2PARP10
SCHEMBL4408412 0.79 MAPK14 (0.44) MAPK14SMOKCNH2
SCHEMBL4417279 0.79 MAPT (0.41) 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