SCHEMBL30140102

SCHEMBL30140102

Fc1c(Nc2ncnc3ccc(O[C@H]4CCNC4)nc23)ccc(OC[C@@H]2CCCO2)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 12/20 0.40
MKNK2 Q9HBH9 2/20 0.39
EGFR P00533 2/20 0.38
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
EPHB4 P54760 3/20 0.36
ERBB2 P04626 1/20 0.36
KDR P35968 3/20 0.36
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL30140250 1.00 EPHA2 (0.40) EPHA2MKNK2EGFRRETKIF5B
SCHEMBL30140209 0.93 EPHA2 (0.41) EPHA2MKNK2EGFRRETKIF5B
SCHEMBL30140390 0.93 EPHA2 (0.41) EPHA2MKNK2EGFRRETKIF5B
SCHEMBL30140098 0.93 EPHA2 (0.41) EPHA2MKNK2EGFRRETKIF5B
SCHEMBL30140177 0.91 EPHA2 (0.41) EPHA2MKNK2EGFREPHB4ERBB2
SCHEMBL30140065 0.91 EPHA2 (0.41) EPHA2MKNK2EGFREPHB4ERBB2
SCHEMBL30140289 0.89 EPHA2 (0.43) EPHA2MKNK2EPHB4ERBB2KDR
SCHEMBL30140291 0.89 EPHA2 (0.43) EPHA2MKNK2EPHB4ERBB2KDR
SCHEMBL30140339 0.88 EGFR (0.41) EPHA2MKNK2EGFRRETKIF5B
SCHEMBL30140218 0.88 EPHA2 (0.42) EPHA2MKNK2EGFRRETKIF5B

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed