SCHEMBL30140118

SCHEMBL30140118

C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OC[C@H]5CCCO5)c(F)c4F)c3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.49
ERBB2 P04626 5/20 0.49
KCNH2 Q12809 1/20 0.43

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
SCHEMBL30140080 1.00 EGFR (0.49) EGFRERBB2KCNH2
SCHEMBL30140387 0.94 EGFR (0.54) EGFRERBB2KCNH2
SCHEMBL30140087 0.94 EGFR (0.54) EGFRERBB2KCNH2
SCHEMBL30140265 0.94 EGFR (0.54) EGFRERBB2KCNH2
SCHEMBL30140070 0.92 EGFR (0.53) EGFRERBB2KCNH2
SCHEMBL30140234 0.92 EGFR (0.53) EGFRERBB2KCNH2
SCHEMBL30140083 0.91 EGFR (0.56) EGFRERBB2KCNH2
SCHEMBL30140190 0.90 EGFR (0.53) EGFRERBB2
SCHEMBL30140136 0.89 EGFR (0.49) EGFRERBB2KCNH2
SCHEMBL30140260 0.89 EGFR (0.49) 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