SCHEMBL30140239

SCHEMBL30140239

Fc1cc2ncnc(Nc3ccc(OC[C@H]4CCOC4)c(F)c3F)c2nc1O[C@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.42
MKNK2 Q9HBH9 5/20 0.41
KDR P35968 4/20 0.38
FGFR1 P11362 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
EPHA2 P29317 4/20 0.36
MKNK1 Q9BUB5 2/20 0.35
EIF4E P06730 1/20 0.35
EPHB4 P54760 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
ERBB2 P04626 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL30140210 1.00 EGFR (0.42) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140412 0.92 KDR (0.43) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140295 0.88 EGFR (0.41) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140076 0.87 EPHA2 (0.42) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140218 0.87 EPHA2 (0.42) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140353 0.85 KDR (0.44) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30140086 0.83 EGFR (0.35) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140346 0.81 EGFR (0.46) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140131 0.81 EGFR (0.46) EGFRMKNK2KDRFGFR1FLT1
SCHEMBL30140107 0.81 EGFR (0.39) EGFRKDRFGFR1FLT1FLT4

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