SCHEMBL30140190

SCHEMBL30140190

C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OCC5CC5)c(F)c4F)c3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.53
ERBB2 P04626 4/20 0.53
KDR P35968 2/20 0.47

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
SCHEMBL23570578 0.94 EGFR (0.58) EGFRERBB2
SCHEMBL30140117 0.92 EGFR (0.58) EGFRERBB2
SCHEMBL30140068 0.92 EGFR (0.57) EGFRERBB2
SCHEMBL30140118 0.90 EGFR (0.49) EGFRERBB2
SCHEMBL30140080 0.90 EGFR (0.49) EGFRERBB2
SCHEMBL30140101 0.89 EGFR (0.58) EGFRERBB2
SCHEMBL30140149 0.89 EGFR (0.56) EGFRERBB2
SCHEMBL30140144 0.88 EGFR (0.65) EGFRERBB2
SCHEMBL30140380 0.88 EGFR (0.62) EGFRERBB2
SCHEMBL30140274 0.88 EGFR (0.54) EGFRERBB2KDR

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