SCHEMBL26100822

SCHEMBL26100822

COCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)nc4)cc3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ KIT P10721 3/20 0.41
▸ RAF1 P04049 6/20 0.41
▸ ENPP1 P22413 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ AURKB Q96GD4 1/20 0.39
▸ IRAK4 Q9NWZ3 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
SCHEMBL26099737 0.92 BRAF (0.46) BRAFKITRAF1KDRAURKB
SCHEMBL26101857 0.89 KIT (0.42) BRAFKITRAF1KDR
SCHEMBL26103289 0.86 KIT (0.43) KITENPP1KDRAURKBIRAK4
SCHEMBL26103479 0.85 EGFR (0.44) PDE10AKITRAF1ENPP1KDR
SCHEMBL26102560 0.84 EGFR (0.48) KITKDRAURKBIRAK4
SCHEMBL30394282 0.84 KIT (0.43) BRAFKITRAF1ENPP1KDR
SCHEMBL26102835 0.84 KIT (0.43) BRAFKITRAF1ENPP1KDR
SCHEMBL26101314 0.83 KIT (0.42) KITENPP1KDRAURKBIRAK4
SCHEMBL26102536 0.83 MAPK7 (0.41) PDE10AKITENPP1KDR
SCHEMBL26101918 0.81 MCHR1 (0.48) KITKDR

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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