SCHEMBL9753720

SCHEMBL9753720

CSc1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.38
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
MAPK14 Q16539 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32

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
SCHEMBL9753309 0.84 MAPK14 (0.43) GCGRTGFBR1TGFBR2MAPK14KDM5B
SCHEMBL9753771 0.84 GCGR (0.40) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9752952 0.83 GCGR (0.39) GCGRTGFBR1TGFBR2KDM5BCSNK1D
SCHEMBL9753336 0.83 MAPK14 (0.42) GCGRTGFBR1TGFBR2MAPK14KDM5B
SCHEMBL9752983 0.82 GCGR (0.43) GCGRTGFBR1TGFBR2
SCHEMBL9753406 0.81 GCGR (0.38) GCGRTGFBR1TGFBR2KDM5BCSNK1D
SCHEMBL9753125 0.81 GCGR (0.37) GCGRKDM5B
SCHEMBL9752958 0.81 PTGDR2 (0.39) GCGR
SCHEMBL9753328 0.80 PTGS1 (0.32) GCGRTGFBR1TGFBR2CSNK1DCSNK1E
SCHEMBL9752970 0.79 KDM5B (0.34) MAPK14KDM5B

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed