SCHEMBL21557366

SCHEMBL21557366

COc1cc2ncnc(Nc3ccc(F)c(O)c3F)c2cc1Br

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.83
RET P07949 10/20 0.83
KIF5B P33176 10/20 0.83
RAF1 P04049 2/20 0.67
BRAF P15056 2/20 0.67
EGFR P00533 4/20 0.62
FLT1 P17948 5/20 0.61
FGFR1 P11362 3/20 0.61
EPHB2 P29323 1/20 0.61
FLT4 P35916 1/20 0.61
JAK3 P52333 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
RIPK2 O43353 1/20 0.55
NOD1 Q9Y239 1/20 0.55
SRC P12931 1/20 0.55

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
SCHEMBL16760403 0.91 KDR (1.00) KDRRETKIF5BRAF1BRAF
Hydrochloric Acid SCHEMBL16760421 0.90 KDR (0.98) KDRRETKIF5BRAF1BRAF
SCHEMBL20355393 0.88 KDR (0.64) KDRRETKIF5BRAF1BRAF
SCHEMBL20355392 0.87 KDR (0.64) KDRRETKIF5BEGFRFLT1
SCHEMBL21557447 0.86 KDR (0.83) KDRRETKIF5BRAF1BRAF
SCHEMBL24245106 0.86 KDR (0.70) KDRRETKIF5BEGFRFLT1
SCHEMBL20354974 0.84 KDR (0.65) KDRRETKIF5BEGFRFLT1
SCHEMBL20355323 0.84 KDR (0.86) KDRRETKIF5BEGFRFLT1
SCHEMBL21557410 0.83 KDR (0.62) KDRRETKIF5BEGFRFLT1
SCHEMBL21541684 0.83 EGFR (0.66) 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-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed