SCHEMBL30126313

SCHEMBL30126313

C=CC(=O)N1CCC[C@H](c2ccc3ncnc(Nc4ccc(F)c(Cl)c4F)c3c2)C1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.71
ERBB2 P04626 4/20 0.55
RAF1 P04049 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR2 P21802 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
TEK Q02763 1/20 0.54
RIPK2 O43353 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
EPHB2 P29323 1/20 0.53
TEC P42680 1/20 0.53
EPHB4 P54760 1/20 0.53
EPHA4 P54764 1/20 0.53
BTK Q06187 1/20 0.53
KCNH2 Q12809 1/20 0.53
TNK1 Q13470 1/20 0.53
RIPK3 Q9Y572 1/20 0.53

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
SCHEMBL30127206 1.00 EGFR (0.71) EGFRERBB2RAF1FLT1FGFR2
SCHEMBL30125950 0.94 EGFR (0.63) EGFRERBB2RIPK2RETMET
SCHEMBL30126605 0.94 EGFR (0.63) EGFRERBB2RIPK2RETMET
SCHEMBL30127178 0.94 EGFR (0.63) EGFRERBB2RIPK2RETMET
SCHEMBL30125773 0.93 EGFR (0.69) EGFRERBB2RAF1FLT1FGFR2
SCHEMBL30127577 0.89 EGFR (0.66) EGFRERBB2RIPK2RETMET
SCHEMBL30127603 0.89 EGFR (0.66) EGFRERBB2RIPK2RETMET
SCHEMBL30127497 0.89 EGFR (0.66) EGFRERBB2RIPK2RETMET
SCHEMBL30126818 0.89 EGFR (0.61) EGFRERBB2RAF1FGFR2FLT4
SCHEMBL30126249 0.89 EGFR (0.61) EGFRERBB2RAF1FGFR2FLT4

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