SCHEMBL30117441

SCHEMBL30117441

Cc1cc(-c2ncc(N)cc2-c2ccc3[nH]ncc3c2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.51
▸ TRPA1 O75762 11/20 0.50
▸ MAPKAPK2 P49137 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ USP7 Q93009 1/20 0.41

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
SCHEMBL15637975 1.00 TGFBR1 (0.51) TGFBR1TRPA1MAPKAPK2KDM4EMEN1
SCHEMBL15639196 0.88 TGFBR1 (0.53) TGFBR1TRPA1TRPM8
SCHEMBL15639499 0.88 TGFBR1 (0.53) TGFBR1TRPA1ROCK2TRPM8
SCHEMBL15639504 0.88 TGFBR1 (0.53) TGFBR1TRPA1ROCK2TRPM8
SCHEMBL15639865 0.84 TGFBR1 (0.49) TGFBR1TRPA1ROCK2ROCK1TRPM8
SCHEMBL15639722 0.83 TGFBR1 (0.72) TGFBR1TRPA1ROCK2ROCK1TRPM8
SCHEMBL15638153 0.83 TGFBR1 (0.52) TGFBR1TRPA1MAPKAPK2TRPM8USP7
SCHEMBL30117459 0.83 TGFBR1 (0.52) TGFBR1TRPA1MAPKAPK2TRPM8USP7
SCHEMBL15638967 0.83 TGFBR1 (0.48) TGFBR1TRPA1MEN1RAB9AKMT2A
SCHEMBL28425052 0.82 TGFBR1 (0.71) TGFBR1TRPA1ROCK2ROCK1TRPM8

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-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP claimed
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