SCHEMBL30236740

SCHEMBL30236740

CCNc1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3C)cc2cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.57
▸ RAF1 P04049 18/20 0.57
▸ MAPK13 O15264 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAPK12 P53778 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL29272291 1.00 BRAF (0.57) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL29272314 0.91 RAF1 (0.57) BRAFRAF1
SCHEMBL30237025 0.91 RAF1 (0.57) BRAFRAF1
SCHEMBL30236315 0.91 BRAF (0.59) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL29272322 0.91 BRAF (0.59) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL29272466 0.88 RAF1 (0.57) BRAFRAF1
SCHEMBL30236638 0.88 RAF1 (0.57) BRAFRAF1
SCHEMBL29272451 0.87 BRAF (0.58) BRAFRAF1
SCHEMBL30236913 0.87 BRAF (0.58) BRAFRAF1
SCHEMBL30236229 0.83 BRAF (0.50) BRAFRAF1MAPK13KDRMAPK12

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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