SCHEMBL26102116

SCHEMBL26102116

COc1cc2c(-c3ccc(C(Cc4ccccc4)C(N)=O)cc3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 10/20 0.52
▸ EGFR P00533 7/20 0.44
▸ FGFR1 P11362 4/20 0.44
▸ FLT1 P17948 4/20 0.44
▸ FLT4 P35916 4/20 0.44
▸ KDR P35968 4/20 0.44
▸ AXL P30530 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ IRAK4 Q9NWZ3 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
SCHEMBL26101780 0.89 KIT (0.48) KITEGFRKDR
SCHEMBL26102114 0.87 KIT (0.51) KITEGFRFGFR1FLT1FLT4
SCHEMBL26098297 0.83 EGFR (0.51) KITEGFRFGFR1FLT1FLT4
SCHEMBL26099903 0.82 EGFR (0.45) KITEGFRKDRIRAK4
SCHEMBL26100035 0.81 KDR (0.46) KITEGFRFGFR1FLT1FLT4
SCHEMBL26099799 0.81 KDR (0.46) KITEGFRFGFR1FLT1FLT4
SCHEMBL26099840 0.80 EGFR (0.43) KITEGFRFGFR1FLT1FLT4
SCHEMBL26102118 0.80 KIT (0.54) KITEGFRFGFR1FLT1FLT4
SCHEMBL30395061 0.80 KIT (0.54) KITEGFRFGFR1FLT1FLT4
SCHEMBL26099698 0.79 KDR (0.47) KITEGFRFGFR1FLT1FLT4

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