SCHEMBL26099840

SCHEMBL26099840

COc1cc2c(-c3ccc(C(C(N)=O)c4cccc(C(F)(F)F)c4)cc3)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.43
▸ KDR P35968 7/20 0.43
▸ FGFR1 P11362 5/20 0.43
▸ FLT1 P17948 5/20 0.43
▸ FLT4 P35916 5/20 0.43
▸ KIT P10721 2/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ AXL P30530 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ BRAF P15056 3/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TNNI3K Q59H18 1/20 0.38

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) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26100035 0.93 KDR (0.46) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26102800 0.90 HTR1A (0.45) EGFRKDRKITHTR1AHTR7
SCHEMBL26103479 0.88 EGFR (0.44) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26102185 0.85 KIT (0.46) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26099351 0.85 KIT (0.46) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30394062 0.84 EGFR (0.49) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26101933 0.84 EGFR (0.49) EGFRKDRFGFR1FLT1FLT4
SCHEMBL26100926 0.83 EGFR (0.47) EGFRKDRKITBRAF
SCHEMBL30891778 0.83 MAPK7 (0.45) EGFRKDRFGFR1FLT1FLT4

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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