SCHEMBL9753098

SCHEMBL9753098

CC(C)c1c(CO)c(-c2ccc(F)cc2F)nn2cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.40
TGFBR1 P36897 1/20 0.33
GRM2 Q14416 1/20 0.33
MAP4K4 O95819 4/20 0.33
CSNK1D P48730 4/20 0.33
MINK1 Q8N4C8 4/20 0.33
PRKD2 Q9BZL6 4/20 0.33
PRKD3 O94806 3/20 0.33
MAPK9 P45984 3/20 0.33
RORC P51449 2/20 0.33
DHODH Q02127 1/20 0.33
GABRA5 P31644 1/20 0.32
MAPK14 Q16539 2/20 0.32
EGFR P00533 3/20 0.32
GSK3B P49841 2/20 0.32
RAF1 P04049 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL9753419 0.89 GRM2 (0.36) GCGRGRM2MAPK14
SCHEMBL9753170 0.83 MAPK14 (0.44) GCGRMAPK14EGFRGSK3BRAF1
SCHEMBL9753346 0.81 GCGR (0.39) GCGRTGFBR1GABRA5MAPK14EGFR
SCHEMBL9752941 0.80 ALDH1A1 (0.35) MAP4K4CSNK1DMINK1PRKD2PRKD3
SCHEMBL9753002 0.78 TGFBR1 (0.36) TGFBR1MAPK14EGFRADORA2AADORA1
SCHEMBL9752919 0.77 SMN1; SMN2 (0.43) GCGREGFRADORA2AADORA1MIF
SCHEMBL9753497 0.76 MAPK14 (0.31) MAP4K4CSNK1DMINK1PRKD2PRKD3
SCHEMBL9753499 0.76 MAPK14 (0.31) MAP4K4CSNK1DMINK1PRKD2PRKD3
SCHEMBL9753501 0.73 HMGCR (0.45) ADORA3
SCHEMBL9753024 0.72 HMGCR (0.35) ADORA3

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