SCHEMBL9753771

SCHEMBL9753771

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.40
TGFBR1 P36897 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TGFBR2 P37173 1/20 0.34

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 0.88 MAPK14 (0.43) GCGRTGFBR1PTGDR2KDM5BTGFBR2
SCHEMBL9753336 0.86 MAPK14 (0.42) GCGRTGFBR1KDM5BTGFBR2
SCHEMBL9752952 0.86 GCGR (0.39) GCGRTGFBR1KDM5BTGFBR2
SCHEMBL9752958 0.86 PTGDR2 (0.39) GCGRPTGDR2
SCHEMBL9752983 0.85 GCGR (0.43) GCGRTGFBR1TGFBR2
SCHEMBL9753406 0.84 GCGR (0.38) GCGRTGFBR1KDM5BTGFBR2
SCHEMBL9753720 0.84 GCGR (0.38) GCGRTGFBR1KDM5BTGFBR2
SCHEMBL9753125 0.83 GCGR (0.37) GCGRPTGDR2KDM5B
SCHEMBL9753426 0.82 GCGR (0.40) GCGRTGFBR1KDM5BTGFBR2
SCHEMBL9753038 0.81 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