SCHEMBL26099032

SCHEMBL26099032

COCCN1CCC(COc2cc3ncnc(-c4ccc(NC(=O)C5CC5)cc4)c3cc2OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.51
▸ PDGFRB P09619 8/20 0.50
▸ KDR P35968 4/20 0.49
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ KIT P10721 3/20 0.48
▸ FLT3 P36888 1/20 0.48

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
SCHEMBL26099433 0.92 EGFR (0.52) EGFRPDGFRBKDRKITFLT3
SCHEMBL30394281 0.92 EGFR (0.52) EGFRPDGFRBKDRKITFLT3
SCHEMBL26103039 0.90 EGFR (0.50) EGFRPDGFRBKDRKITFLT3
SCHEMBL26102918 0.85 EGFR (0.51) EGFRKDRROCK2KIT
SCHEMBL26100883 0.85 KIT (0.51) EGFRPDGFRBKDRKITFLT3
SCHEMBL30394096 0.85 EGFR (0.51) EGFRKDRROCK2KIT
SCHEMBL26102438 0.84 AURKA (0.49) EGFRPDGFRBKDRKIT
SCHEMBL29238247 0.84 KIT (0.50) EGFRPDGFRBKDRROCK2KIT
SCHEMBL30393851 0.84 AURKA (0.49) EGFRPDGFRBKDRKIT
SCHEMBL26102091 0.84 PDGFRB (0.48) EGFRPDGFRBKDRKIT

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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