SCHEMBL26100102

SCHEMBL26100102

COc1cc2c(-c3ccc(NC(C)=O)cc3)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.62
▸ KDR P35968 3/20 0.60
▸ KIT P10721 2/20 0.57

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
SCHEMBL26101812 0.91 EGFR (0.52) EGFRKDRKIT
SCHEMBL26099433 0.91 EGFR (0.52) EGFRKDRKIT
SCHEMBL30394281 0.91 EGFR (0.52) EGFRKDRKIT
SCHEMBL26101262 0.89 KDR (0.51) EGFRKDRKIT
SCHEMBL31137783 0.85 EGFR (0.54) EGFRKDRKIT
SCHEMBL26535296 0.85 EGFR (0.54) EGFRKDRKIT
SCHEMBL29238264 0.84 KDR (0.53) EGFRKDRKIT
SCHEMBL30394389 0.84 KDR (0.53) EGFRKDRKIT
SCHEMBL30393893 0.84 EGFR (0.64) EGFRKDRKIT
SCHEMBL26100098 0.84 EGFR (0.56) EGFRKDRKIT

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-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO disclosed
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