SCHEMBL26101857

SCHEMBL26101857

COCCOc1cc2ncnc(-c3ccc(C(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OCCOC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.42
▸ BRAF P15056 7/20 0.42
▸ RAF1 P04049 4/20 0.42
▸ KDR P35968 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 2/20 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 0.97 BRAF (0.46) KITBRAFRAF1KDR
SCHEMBL26102835 0.89 KIT (0.43) KITBRAFRAF1KDREGFR
SCHEMBL30394282 0.89 KIT (0.43) KITBRAFRAF1KDREGFR
SCHEMBL26100822 0.89 BRAF (0.43) KITBRAFRAF1KDR
SCHEMBL26101918 0.86 MCHR1 (0.48) KITKDREGFR
SCHEMBL26102229 0.86 EGFR (0.44) KITKDREGFR
SCHEMBL26100658 0.85 EGFR (0.45) KITBRAFRAF1KDREGFR
SCHEMBL26100901 0.85 KDR (0.44) KITBRAFRAF1KDREGFR
SCHEMBL26102268 0.84 KDR (0.53) KITKDRPDGFRBEGFR
SCHEMBL26098888 0.84 CSF1R (0.43) KITBRAFKDREGFR

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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