SCHEMBL30236331

SCHEMBL30236331

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 17/20 0.42
▸ BRAF P15056 17/20 0.42
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ ARAF P10398 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
SCHEMBL29272341 1.00 RAF1 (0.42) RAF1BRAFKDRTEKABL1
SCHEMBL29272208 0.94 RAF1 (0.45) RAF1BRAFABL1ARAF
SCHEMBL30236779 0.94 RAF1 (0.45) RAF1BRAFABL1ARAF
SCHEMBL30236604 0.93 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL29272091 0.93 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL30236573 0.91 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL29272398 0.91 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL29272403 0.91 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL30236297 0.91 RAF1 (0.41) RAF1BRAFABL1ARAF
SCHEMBL29272406 0.91 RAF1 (0.40) 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 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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