SCHEMBL30140117

SCHEMBL30140117

C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OC[C@@H]5CCOC5)c(F)c4F)c3n2)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.58
ERBB2 P04626 5/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL30140315 0.94 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL30140404 0.94 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL30140359 0.94 EGFR (0.63) EGFRERBB2KCNH2
SCHEMBL30140190 0.92 EGFR (0.53) EGFRERBB2
SCHEMBL23570485 0.92 EGFR (0.57) EGFRERBB2KCNH2
SCHEMBL30140397 0.90 EGFR (0.59) EGFRERBB2KCNH2
SCHEMBL30140101 0.90 EGFR (0.58) EGFRERBB2KCNH2
SCHEMBL30140337 0.90 EGFR (0.55) EGFRERBB2KCNH2
SCHEMBL30140347 0.90 EGFR (0.55) EGFRERBB2KCNH2
SCHEMBL30140270 0.89 EGFR (0.59) EGFRERBB2KCNH2

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