SCHEMBL22676672

SCHEMBL22676672

Cc1cc(-c2c(-c3ccc(NC(=O)C(C)(C)C)cc3)n(C)c3ncnc(N)c23)ccc1Oc1ncc(F)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.55
▸ FGFR2 P21802 2/20 0.55
▸ FGFR4 P22455 2/20 0.55
▸ FGFR3 P22607 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ JAK2 O60674 2/20 0.42
▸ MET P08581 3/20 0.39
▸ AXL P30530 2/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ SRC P12931 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ KIT P10721 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ TEK Q02763 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL30303817 0.88 FGFR1 (0.70) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676726 0.88 FGFR1 (0.70) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676429 0.81 FGFR1 (0.78) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303752 0.81 FGFR1 (0.78) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22677856 0.81 FGFR1 (0.62) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303755 0.81 FGFR1 (0.62) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30304000 0.80 FGFR1 (0.54) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676728 0.80 FGFR1 (0.68) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22676662 0.80 FGFR1 (0.54) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303303 0.80 FGFR1 (0.68) FGFR1FGFR2FGFR4FGFR3CYP3A4

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-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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