SCHEMBL30140063

SCHEMBL30140063

C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OC5(C)CCC5)c(F)c4F)c3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ERBB2 P04626 7/20 0.51
RIPK2 O43353 1/20 0.45
RET P07949 1/20 0.45
MET P08581 1/20 0.45
EPHB2 P29323 1/20 0.45
TEC P42680 1/20 0.45
EPHB4 P54760 1/20 0.45
EPHA4 P54764 1/20 0.45
BTK Q06187 1/20 0.45
KCNH2 Q12809 1/20 0.45
TNK1 Q13470 1/20 0.45
RIPK3 Q9Y572 1/20 0.45

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
SCHEMBL30140189 0.94 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL30140167 0.91 EGFR (0.58) EGFRERBB2RIPK2RETMET
SCHEMBL30140068 0.90 EGFR (0.57) EGFRERBB2RIPK2RETMET
SCHEMBL30140317 0.89 GPR119 (0.44) EGFRERBB2
SCHEMBL30140149 0.87 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL30140380 0.86 EGFR (0.62) EGFRERBB2RIPK2RETMET
SCHEMBL30140190 0.86 EGFR (0.53) EGFRERBB2
SCHEMBL23537666 0.86 EGFR (0.57) EGFRERBB2RIPK2RETMET
SCHEMBL23537664 0.86 EGFR (0.57) EGFRERBB2RIPK2RETMET
SCHEMBL30140194 0.85 EGFR (0.61) EGFRERBB2RIPK2RETMET

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