SCHEMBL26099351

SCHEMBL26099351

COc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OCC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.46
▸ IRAK4 Q9NWZ3 7/20 0.44
▸ MAPK7 Q13164 1/20 0.41
▸ ENPP1 P22413 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ KDR P35968 3/20 0.37
▸ EGFR P00533 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ EPHA2 P29317 1/20 0.37

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
SCHEMBL26102185 1.00 KIT (0.46) KITIRAK4MAPK7ENPP1PDPK1
SCHEMBL26100035 0.91 KDR (0.46) KITIRAK4MAPK7ENPP1SLC2A1
SCHEMBL26099799 0.91 KDR (0.46) KITIRAK4MAPK7ENPP1SLC2A1
SCHEMBL30394062 0.86 EGFR (0.49) KITIRAK4MAPK7RPS6KB1SLC2A1
SCHEMBL26101933 0.86 EGFR (0.49) KITIRAK4MAPK7RPS6KB1SLC2A1
SCHEMBL26101193 0.86 MAPK7 (0.43) KITMAPK7SLC2A1CTSSKDR
SCHEMBL26101421 0.86 MAPK7 (0.43) KITMAPK7SLC2A1CTSSKDR
SCHEMBL26098994 0.85 EGFR (0.44) KITIRAK4MAPK7KDREGFR
SCHEMBL26099840 0.85 EGFR (0.43) KITIRAK4ENPP1KDREGFR
SCHEMBL30891778 0.85 MAPK7 (0.45) KITIRAK4MAPK7ENPP1RPS6KB1

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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