SCHEMBL24245152

SCHEMBL24245152

COc1cc2ncnc(Nc3ccc(F)c(N(C)C)c3C)c2cc1Br

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.59
▸ RET P07949 8/20 0.59
▸ KIF5B P33176 8/20 0.59
▸ EGFR P00533 6/20 0.59
▸ FLT1 P17948 6/20 0.55
▸ FGFR1 P11362 4/20 0.55
▸ FLT4 P35916 2/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ SRC P12931 1/20 0.49

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
SCHEMBL20354974 0.88 KDR (0.65) KDRRETKIF5BEGFRFLT1
SCHEMBL21557410 0.86 KDR (0.62) KDRRETKIF5BEGFRFLT1
SCHEMBL20354973 0.85 KDR (0.63) KDRRETKIF5BEGFRFLT1
SCHEMBL21557441 0.82 KDR (0.71) KDRRETKIF5BEGFRFLT1
SCHEMBL20355323 0.82 KDR (0.86) KDRRETKIF5BEGFRFLT1
SCHEMBL21557447 0.81 KDR (0.83) KDRRETKIF5BEGFRFLT1
SCHEMBL20355393 0.81 KDR (0.64) KDRRETKIF5BEGFRFLT1
SCHEMBL21557366 0.80 KDR (0.83) KDRRETKIF5BEGFRFLT1
SCHEMBL20355392 0.80 KDR (0.64) KDRRETKIF5BEGFRFLT1
SCHEMBL24245159 0.79 EGFR (0.67) KDRRETKIF5BEGFRFLT1

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
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 — — EP disclosed
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