SCHEMBL24458852

SCHEMBL24458852

COc1cc(-c2c(C#CC3C4CN(C(=O)/C=C/CN(C)C)CC34)n(C)c3ncnc(N)c23)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 12/20 0.49
▸ FGFR1 P11362 3/20 0.49
▸ FGFR4 P22455 2/20 0.49
▸ FGFR3 P22607 2/20 0.49
▸ KDR P35968 2/20 0.47
▸ BTK Q06187 5/20 0.43
▸ RET P07949 1/20 0.43
▸ KIF5B P33176 1/20 0.43
▸ EGFR P00533 3/20 0.41
▸ LCK P06239 1/20 0.41
▸ ITK Q08881 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
SCHEMBL29552087 1.00 FGFR2 (0.49) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL24458786 1.00 FGFR2 (0.49) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL31523761 0.88 FGFR2 (0.49) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL24458562 0.88 FGFR2 (0.49) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL24458389 0.88 RET (0.48) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL31523756 0.88 RET (0.48) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL31523804 0.88 FGFR2 (0.46) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL24458409 0.88 FGFR2 (0.46) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL31523866 0.87 FGFR2 (0.45) FGFR2FGFR1FGFR4FGFR3KDR
SCHEMBL24458738 0.87 FGFR2 (0.45) FGFR2FGFR1FGFR4FGFR3KDR

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-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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