SCHEMBL9753336

SCHEMBL9753336

CC(C)c1c(CO)c(-c2ccc(F)cc2)nn2c(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
GCGR P47871 13/20 0.39
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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 0.86 MAPK14 (0.43) MAPK14GCGRTGFBR1TGFBR2PTGS2
SCHEMBL9753771 0.86 GCGR (0.40) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9752952 0.85 GCGR (0.39) GCGRCSNK1DCSNK1ETGFBR1TGFBR2
SCHEMBL9752983 0.84 GCGR (0.43) GCGRTGFBR1TGFBR2
SCHEMBL9753406 0.83 GCGR (0.38) GCGRCSNK1DCSNK1ETGFBR1TGFBR2
SCHEMBL9753720 0.83 GCGR (0.38) MAPK14GCGRCSNK1DCSNK1ETGFBR1
SCHEMBL9753125 0.82 GCGR (0.37) GCGRKDM5B
SCHEMBL9752958 0.82 PTGDR2 (0.39) GCGR
SCHEMBL9753426 0.81 GCGR (0.40) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9753038 0.80 GCGR (0.47) GCGRTGFBR1TGFBR2

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed