SCHEMBL26099799

SCHEMBL26099799

COc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.46
▸ EGFR P00533 7/20 0.46
▸ FGFR1 P11362 5/20 0.46
▸ FLT1 P17948 5/20 0.46
▸ FLT4 P35916 5/20 0.46
▸ KIT P10721 4/20 0.44
▸ AXL P30530 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ MAPK7 Q13164 1/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39

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
SCHEMBL26100035 1.00 KDR (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL26099840 0.93 EGFR (0.43) KDREGFRFGFR1FLT1FLT4
SCHEMBL26103479 0.93 EGFR (0.44) KDREGFRFGFR1FLT1FLT4
SCHEMBL26099351 0.91 KIT (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL26102185 0.91 KIT (0.46) KDREGFRFGFR1FLT1FLT4
SCHEMBL30394062 0.90 EGFR (0.49) KDREGFRFGFR1FLT1FLT4
SCHEMBL26101933 0.90 EGFR (0.49) KDREGFRFGFR1FLT1FLT4
SCHEMBL26100926 0.89 EGFR (0.47) KDREGFRKITMAPK7
SCHEMBL30891778 0.89 MAPK7 (0.45) KDREGFRFGFR1FLT1FLT4
SCHEMBL26099862 0.89 MAPK7 (0.45) 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 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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