SCHEMBL30236644

SCHEMBL30236644

CNc1cc2ncc(-c3cc(NC(=O)c4cc([C@H](C)C(F)F)ccn4)ccc3C)cc2cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.42
▸ KDR P35968 5/20 0.42
▸ MAPK14 Q16539 5/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ RAF1 P04049 10/20 0.42
▸ KRAS P01116 1/20 0.42
▸ LCK P06239 4/20 0.41
▸ JAK3 P52333 4/20 0.41
▸ ABL1 P00519 5/20 0.40
▸ TEK Q02763 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
SCHEMBL30236390 1.00 BRAF (0.42) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL29272424 1.00 BRAF (0.42) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL30236908 1.00 BRAF (0.42) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL29272391 1.00 BRAF (0.42) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL29272294 1.00 BRAF (0.42) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL29272460 0.94 BRAF (0.44) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL30237123 0.94 BRAF (0.44) BRAFKDRMAPK14MAPK13MAPK12
SCHEMBL30236297 0.91 RAF1 (0.41) BRAFRAF1ABL1
SCHEMBL30236351 0.91 RAF1 (0.41) BRAFRAF1ABL1
SCHEMBL29272395 0.91 RAF1 (0.41) BRAFRAF1ABL1

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 3 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
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 — — CN 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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