SCHEMBL30117521

SCHEMBL30117521

CCOc1cnc(-c2ccc(F)c(F)c2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.48
▸ FGFR2 P21802 4/20 0.47
▸ FGFR1 P11362 3/20 0.47
▸ TGFBR1 P36897 4/20 0.47
▸ KDM1A O60341 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 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
SCHEMBL15638854 1.00 TRPA1 (0.48) TRPA1FGFR2FGFR1TGFBR1KDM1A
SCHEMBL15638967 0.92 TGFBR1 (0.48) TRPA1FGFR2FGFR1TGFBR1FGFR3
SCHEMBL15639831 0.89 FGFR1 (0.52) TRPA1FGFR2FGFR1TGFBR1FGFR3
SCHEMBL15639317 0.87 FGFR1 (0.51) TRPA1FGFR2FGFR1TGFBR1FGFR3
SCHEMBL15639774 0.86 TRPA1 (0.62) TRPA1FGFR2FGFR1TGFBR1FGFR3
SCHEMBL30117579 0.84 FGFR1 (0.51) TRPA1FGFR2FGFR1TGFBR1KDM1A
SCHEMBL15639986 0.84 FGFR1 (0.51) TRPA1FGFR2FGFR1TGFBR1KDM1A
SCHEMBL16473230 0.83 TGFBR1 (0.54) TRPA1TGFBR1CYP1A2CYP2D6CYP2C9
SCHEMBL15639865 0.80 TGFBR1 (0.49) TRPA1TGFBR1
SCHEMBL18712037 0.79 TRPA1 (0.46) TRPA1FGFR2FGFR1TGFBR1FGFR3

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