SCHEMBL30237164

SCHEMBL30237164

CNc1cc2ncc(-c3cc(NC(=O)c4cc(C(F)(F)F)ccn4)cnc3C)cc2cn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.58
▸ RAF1 P04049 18/20 0.58
▸ MAPK13 O15264 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49

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
SCHEMBL29272387 1.00 BRAF (0.58) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL30236246 0.94 RAF1 (0.58) BRAFRAF1
SCHEMBL29272231 0.94 RAF1 (0.58) BRAFRAF1
SCHEMBL30236434 0.94 RAF1 (0.58) BRAFRAF1
SCHEMBL29272355 0.94 RAF1 (0.58) BRAFRAF1
SCHEMBL30236382 0.92 RAF1 (0.50) BRAFRAF1
SCHEMBL29272169 0.92 RAF1 (0.50) BRAFRAF1
SCHEMBL29272241 0.90 BRAF (0.60) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL30236502 0.90 BRAF (0.60) BRAFRAF1MAPK13KDRMAPK12
SCHEMBL30236907 0.90 BRAF (0.46) 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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