SCHEMBL30237193

SCHEMBL30237193

CNc1cc2ncc(-c3cc(NC(=O)c4cncc(C(O)C(F)(F)F)c4)cnc3C)cc2cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 18/20 0.43
▸ BRAF P15056 17/20 0.43
▸ ABL1 P00519 1/20 0.39
▸ ARAF P10398 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ KRAS P01116 1/20 0.36

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
SCHEMBL30237149 1.00 RAF1 (0.43) RAF1BRAFABL1ARAFKDR
SCHEMBL30236928 1.00 RAF1 (0.43) RAF1BRAFABL1ARAFKDR
SCHEMBL29272159 1.00 RAF1 (0.43) RAF1BRAFABL1ARAFKDR
SCHEMBL30236871 0.90 LCK (0.48) RAF1BRAFABL1KDRLCK
SCHEMBL30237067 0.90 LCK (0.48) RAF1BRAFABL1KDRLCK
SCHEMBL29272158 0.90 LCK (0.48) RAF1BRAFABL1KDRLCK
SCHEMBL30236274 0.90 LCK (0.48) RAF1BRAFABL1KDRLCK
SCHEMBL29272482 0.86 RAF1 (0.53) RAF1BRAFKDRLCKJAK3
SCHEMBL30236184 0.86 RAF1 (0.53) RAF1BRAFKDRLCKJAK3
SCHEMBL30236178 0.86 RAF1 (0.44) RAF1BRAFABL1ARAF

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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