SCHEMBL26102923

SCHEMBL26102923

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OCC1CCCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.47
▸ EGFR P00533 4/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ KDR P35968 3/20 0.43
▸ PDGFRB P09619 5/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL26100466 1.00 KIT (0.47) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26102390 0.96 KIT (0.48) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26101669 0.96 KIT (0.48) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26101664 0.96 KIT (0.48) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26101787 0.92 KIT (0.48) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26136507 0.92 EPHA2 (0.47) KITEGFRMAPK7KDRPDGFRB
SCHEMBL26535755 0.92 EPHA2 (0.47) KITEGFRMAPK7KDRPDGFRB
SCHEMBL30394773 0.92 EPHA2 (0.47) KITEGFRMAPK7KDRPDGFRB
SCHEMBL29238243 0.91 KIT (0.45) KITEGFRMAPK7KDRPDGFRB
SCHEMBL29238221 0.91 KIT (0.45) KITEGFRMAPK7KDRPDGFRB

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 claimed
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