SCHEMBL30236405

SCHEMBL30236405

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 19/20 0.44
▸ BRAF P15056 19/20 0.44
▸ ARAF P10398 1/20 0.41
▸ KRAS P01116 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40

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
SCHEMBL29272311 1.00 RAF1 (0.44) RAF1BRAFARAFKRASKDR
SCHEMBL29272469 0.92 RAF1 (0.47) RAF1BRAFARAFKDRLCK
SCHEMBL30236400 0.92 RAF1 (0.47) RAF1BRAFARAFKDRLCK
SCHEMBL30236184 0.91 RAF1 (0.53) RAF1BRAFKDRLCKJAK3
SCHEMBL29272482 0.91 RAF1 (0.53) RAF1BRAFKDRLCKJAK3
SCHEMBL29272360 0.90 BRAF (0.48) RAF1BRAF
SCHEMBL30237000 0.90 BRAF (0.48) RAF1BRAF
SCHEMBL30237149 0.83 RAF1 (0.43) RAF1BRAFARAFKRASKDR
SCHEMBL29272078 0.82 RAF1 (0.55) RAF1BRAFKDRLCKJAK3
SCHEMBL29272063 0.82 RAF1 (0.55) RAF1BRAF

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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