SCHEMBL26101262

SCHEMBL26101262

COc1cc2c(-c3ccc(NC(C)=O)cc3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.51
▸ EGFR P00533 5/20 0.51
▸ FGFR1 P11362 4/20 0.51
▸ FLT1 P17948 4/20 0.51
▸ FLT4 P35916 4/20 0.51
▸ AXL P30530 1/20 0.51
▸ TYRO3 Q06418 1/20 0.51
▸ MERTK Q12866 1/20 0.51
▸ KIT P10721 4/20 0.51
▸ RAF1 P04049 1/20 0.49
▸ EPHA2 P29317 3/20 0.48
▸ EPHB4 P54760 3/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ PDGFRB P09619 3/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRA P16234 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ ENPP1 P22413 1/20 0.44

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
SCHEMBL26100102 0.89 EGFR (0.62) KDREGFRKIT
SCHEMBL26101812 0.87 EGFR (0.52) KDREGFRKITPDGFRBPDGFRA
SCHEMBL30395061 0.86 KIT (0.54) KDREGFRFGFR1FLT1FLT4
SCHEMBL26102118 0.86 KIT (0.54) KDREGFRFGFR1FLT1FLT4
SCHEMBL26101038 0.85 RAF1 (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL26099433 0.85 EGFR (0.52) KDREGFRKITPDGFRBFLT3
SCHEMBL30394281 0.85 EGFR (0.52) KDREGFRKITPDGFRBFLT3
SCHEMBL30394178 0.84 KDR (0.48) KDREGFRFGFR1FLT1FLT4
SCHEMBL30891790 0.84 KDR (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL26536043 0.84 KDR (0.46) KDREGFRFGFR1FLT1FLT4

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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