SCHEMBL30237067

SCHEMBL30237067

CNc1cc2ncc(-c3cc(NC(=O)c4cncc([C@@H](O)C(F)(F)F)c4)ccc3C)cc2cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 8/20 0.48
▸ KDR P35968 8/20 0.48
▸ JAK3 P52333 8/20 0.48
▸ MAPK14 Q16539 8/20 0.48
▸ TEK Q02763 4/20 0.45
▸ BRAF P15056 4/20 0.44
▸ RAF1 P04049 5/20 0.43
▸ KRAS P01116 1/20 0.43
▸ ABL1 P00519 7/20 0.42

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
SCHEMBL30236274 1.00 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL29272158 1.00 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL30236871 1.00 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL30237149 0.90 RAF1 (0.43) LCKKDRJAK3MAPK14BRAF
SCHEMBL29272159 0.90 RAF1 (0.43) LCKKDRJAK3MAPK14BRAF
SCHEMBL30236928 0.90 RAF1 (0.43) LCKKDRJAK3MAPK14BRAF
SCHEMBL30237193 0.90 RAF1 (0.43) LCKKDRJAK3MAPK14BRAF
SCHEMBL30237051 0.87 BRAF (0.45) LCKKDRJAK3MAPK14TEK
SCHEMBL29272264 0.86 KDR (0.59) LCKKDRJAK3MAPK14TEK
SCHEMBL30236705 0.86 KDR (0.59) LCKKDRJAK3MAPK14TEK

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
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 — — EP disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 — — WO disclosed
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