SCHEMBL26099737

SCHEMBL26099737

COCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.46
▸ RAF1 P04049 6/20 0.46
▸ KDR P35968 4/20 0.45
▸ KIT P10721 2/20 0.44
▸ MAPK7 Q13164 1/20 0.42
▸ AURKB Q96GD4 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 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
SCHEMBL26101857 0.97 KIT (0.42) BRAFRAF1KDRKIT
SCHEMBL30394282 0.92 KIT (0.43) BRAFRAF1KDRKITMAPK7
SCHEMBL26102835 0.92 KIT (0.43) BRAFRAF1KDRKITMAPK7
SCHEMBL26100822 0.92 BRAF (0.43) BRAFRAF1KDRKITAURKB
SCHEMBL26101918 0.89 MCHR1 (0.48) KDRKIT
SCHEMBL26102229 0.88 EGFR (0.44) KDRKITAURKB
SCHEMBL26100658 0.88 EGFR (0.45) BRAFRAF1KDRKITMAPK7
SCHEMBL26102268 0.87 KDR (0.53) KDRKITAURKBFLT1
SCHEMBL26098888 0.86 CSF1R (0.43) BRAFKDRKITMAPK7FLT1
SCHEMBL26101171 0.86 CSF1R (0.43) BRAFKDRKITMAPK7FLT1

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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