SCHEMBL26103479

SCHEMBL26103479

COc1cc2c(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)nc4)cc3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.44
▸ FGFR1 P11362 5/20 0.44
▸ FLT1 P17948 5/20 0.44
▸ FLT4 P35916 5/20 0.44
▸ KDR P35968 5/20 0.44
▸ KIT P10721 4/20 0.43
▸ AXL P30530 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ RAF1 P04049 1/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ MAPK7 Q13164 1/20 0.36

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
SCHEMBL26099799 0.93 KDR (0.46) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26100035 0.93 KDR (0.46) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26102560 0.91 EGFR (0.48) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26102536 0.89 MAPK7 (0.41) EGFRKDRKITP2RX7PDE10A
SCHEMBL26101314 0.89 KIT (0.42) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26099840 0.88 EGFR (0.43) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26103289 0.88 KIT (0.43) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26102638 0.86 KDR (0.41) EGFRFGFR1FLT1FLT4KDR
SCHEMBL26100822 0.85 BRAF (0.43) KDRKITRAF1IRAK4PDE10A
SCHEMBL26099351 0.84 KIT (0.46) EGFRFGFR1FLT1FLT4KDR

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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