SCHEMBL8109778

SCHEMBL8109778

O=C1CCSc2ccc(-c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)cc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.60
GCGR P47871 14/20 0.60
MAPK13 O15264 2/20 0.53
RAF1 P04049 2/20 0.53
MAPK9 P45984 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
MAPK8 P45983 1/20 0.53

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
SCHEMBL8111515 0.86 GCGR (0.64) MAPK14GCGR
SCHEMBL8110609 0.82 GCGR (0.62) MAPK14GCGR
SCHEMBL8110313 0.81 GCGR (0.63) MAPK14GCGR
SCHEMBL8101721 0.78 MAPK14 (0.59) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL2662559 0.77 GCGR (1.00) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8111554 0.77 GCGR (0.58) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8111030 0.77 GCGR (0.58) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8111951 0.75 MAPK14 (0.53) MAPK14GCGRMAPK13RAF1MAPK9
SCHEMBL8109976 0.75 GCGR (0.49) MAPK14GCGR
SCHEMBL8115576 0.73 GCGR (0.58) MAPK14GCGRMAPK13RAF1MAPK9

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed