SCHEMBL30237029

SCHEMBL30237029

CNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(F)F)c4)cnc3C)cc2cn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 18/20 0.58
▸ BRAF P15056 18/20 0.58
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LCK P06239 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44

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
SCHEMBL29272400 1.00 RAF1 (0.58) RAF1BRAFALDH1A1RAB9ALCK
SCHEMBL30236399 0.90 RAF1 (0.56) RAF1BRAFLCKKDRJAK3
SCHEMBL29272232 0.90 RAF1 (0.56) RAF1BRAFLCKKDRJAK3
SCHEMBL29272284 0.86 RAF1 (0.58) RAF1BRAF
SCHEMBL30237535 0.86 RAF1 (0.58) RAF1BRAF
SCHEMBL29272409 0.86 LCK (0.61) RAF1BRAFLCKKDRJAK3
SCHEMBL29272208 0.86 RAF1 (0.45) RAF1BRAF
SCHEMBL30236779 0.86 RAF1 (0.45) RAF1BRAF
SCHEMBL29272078 0.85 RAF1 (0.55) RAF1BRAFLCKKDRJAK3
SCHEMBL29272363 0.85 ORAI1 (0.46) RAF1BRAFALDH1A1RAB9ALCK

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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