SCHEMBL30140144

SCHEMBL30140144

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.65
ERBB2 P04626 8/20 0.65
KCNH2 Q12809 2/20 0.53
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
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
SCHEMBL23538197 0.94 EGFR (0.67) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23538194 0.94 EGFR (0.67) EGFRERBB2KCNH2RIPK2RET
SCHEMBL30140380 0.92 EGFR (0.62) EGFRERBB2KCNH2RIPK2RET
SCHEMBL30140066 0.91 EGFR (0.73) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537666 0.91 EGFR (0.57) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537664 0.91 EGFR (0.57) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537923 0.91 EGFR (0.62) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537920 0.91 EGFR (0.62) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537914 0.91 EGFR (0.63) EGFRERBB2KCNH2RIPK2RET
SCHEMBL23537912 0.91 EGFR (0.63) EGFRERBB2KCNH2RIPK2RET

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