SCHEMBL30117459

SCHEMBL30117459

Cc1cc(-c2nc(N)ccc2-c2ccc3[nH]ncc3c2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.52
▸ TRPA1 O75762 11/20 0.51
▸ S1PR1 P21453 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ MAPKAPK2 P49137 2/20 0.42
▸ USP7 Q93009 1/20 0.42

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
SCHEMBL15638153 1.00 TGFBR1 (0.52) TGFBR1TRPA1S1PR1TRPM8MAPKAPK2
SCHEMBL15639661 0.88 TGFBR1 (0.54) TGFBR1TRPA1S1PR1TRPM8
SCHEMBL15637975 0.83 TGFBR1 (0.51) TGFBR1TRPA1TRPM8MAPKAPK2USP7
SCHEMBL30117441 0.83 TGFBR1 (0.51) TGFBR1TRPA1TRPM8MAPKAPK2USP7
SCHEMBL15639974 0.82 TRPA1 (0.52) TGFBR1TRPA1TRPM8MAPKAPK2USP7
SCHEMBL15639722 0.81 TGFBR1 (0.72) TGFBR1TRPA1S1PR1TRPM8
SCHEMBL28425052 0.81 TGFBR1 (0.71) TGFBR1TRPA1S1PR1TRPM8
SCHEMBL15639196 0.80 TGFBR1 (0.53) TGFBR1TRPA1TRPM8
SCHEMBL15639504 0.80 TGFBR1 (0.53) TGFBR1TRPA1TRPM8
SCHEMBL15639499 0.80 TGFBR1 (0.53) TGFBR1TRPA1TRPM8

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
Send feedback