SCHEMBL22676032

SCHEMBL22676032

C=C(C)C(O)Nc1ccc(-c2c(-c3ccc(C(=O)NCC4CCC4)c(OC)n3)c3c(N)ncnc3n2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.37
▸ EGFR P00533 9/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ FGFR4 P22455 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RET P07949 3/20 0.35
▸ KDR P35968 2/20 0.35
▸ MAP4K4 O95819 1/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ PDE6A P16499 1/20 0.33
▸ PDE6G P18545 1/20 0.33
▸ PDE6B P35913 1/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ PDE6H Q13956 1/20 0.33

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
SCHEMBL25129682 0.89 FGFR1 (0.48) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL30303832 0.89 FGFR1 (0.48) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL22676244 0.77 FGFR1 (0.54) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL30304065 0.77 FGFR1 (0.54) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL26085293 0.76 FGFR1 (0.51) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL22676381 0.75 FGFR1 (0.52) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL30303266 0.75 FGFR1 (0.52) FGFR1FGFR2FGFR4FGFR3CYP3A4
SCHEMBL22675772 0.74 FGFR1 (0.59) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL30303482 0.74 FGFR1 (0.59) BTKEGFRFGFR1FGFR2FGFR4
SCHEMBL22675769 0.73 FGFR1 (0.52) BTKFGFR1FGFR2FGFR4FGFR3

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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