SCHEMBL30125958

SCHEMBL30125958

C=CC(=O)N1CC(c2ccc3ncnc(Oc4ccc(F)c(Cl)c4F)c3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.49
▸ ERBB2 P04626 3/20 0.42
▸ FGFR4 P22455 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TEK Q02763 1/20 0.39

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
SCHEMBL30127058 0.88 EGFR (0.49) EGFRERBB2FGFR4
SCHEMBL30125765 0.86 EGFR (0.51) EGFRERBB2FGFR4
SCHEMBL30126357 0.86 EGFR (0.51) EGFRERBB2FGFR4
SCHEMBL30126489 0.86 EGFR (0.48) EGFRERBB2FGFR4
SCHEMBL30125755 0.86 EGFR (0.48) EGFRERBB2FGFR4
SCHEMBL30127470 0.85 PIK3CD (0.46) EGFR
SCHEMBL30125773 0.81 EGFR (0.69) EGFRERBB2RAF1FLT1FGFR2
SCHEMBL30127467 0.79 KDR (0.40) EGFRERBB2FGFR4FLT1FGFR2
SCHEMBL30126998 0.76 EGFR (0.49) EGFRERBB2
SCHEMBL30127492 0.75 EGFR (0.56) EGFRERBB2

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-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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