SCHEMBL6601604

SCHEMBL6601604

Cc1[c]ccc(-c2nc(-c3cccc(C)c3)c(-c3ccncc3)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
CSNK1D P48730 3/20 0.41
CSNK1E P49674 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL3889529 0.78 MAPK14 (0.69) MAPK14CSNK1DCSNK1E
SCHEMBL6502533 0.77 MAPK14 (0.65) MAPK14CSNK1DCSNK1E
SCHEMBL11464007 0.77 MAPK14 (0.56) MAPK14TRPM8
SCHEMBL6280887 0.76 MAPK14 (1.00) MAPK14
SCHEMBL6284207 0.76 MAPK14 (0.69) MAPK14CSNK1DCSNK1E
SCHEMBL6605134 0.75 MAPK14 (0.53) MAPK14
SCHEMBL6280916 0.75 MAPK14 (0.67) MAPK14CSNK1DCSNK1ENPC1RAB9A
SCHEMBL30242346 0.73 MAPK14 (1.00) MAPK14CSNK1DCSNK1E
SCHEMBL9266009 0.72 ACHE (0.44) NPC1RAB9A
SCHEMBL3886214 0.71 MAPK14 (0.76) MAPK14CSNK1DCSNK1E

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
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed