SCHEMBL30236582

SCHEMBL30236582

CNc1cc2ncc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)cc2cn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 18/20 0.57
▸ BRAF P15056 13/20 0.57
▸ LCK P06239 2/20 0.55
▸ KDR P35968 2/20 0.55
▸ JAK3 P52333 2/20 0.55
▸ MAPK14 Q16539 2/20 0.55
▸ TEK Q02763 1/20 0.51

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
SCHEMBL29272256 1.00 RAF1 (0.57) RAF1BRAFLCKKDRJAK3
SCHEMBL29272365 0.96 RAF1 (0.58) RAF1BRAFLCKKDRJAK3
SCHEMBL30236859 0.96 RAF1 (0.58) RAF1BRAFLCKKDRJAK3
SCHEMBL29272271 0.95 RAF1 (0.57) RAF1BRAFLCKKDRJAK3
SCHEMBL30236886 0.90 RAF1 (0.58) RAF1BRAF
SCHEMBL29272307 0.90 RAF1 (0.58) RAF1BRAF
SCHEMBL29272141 0.90 RAF1 (0.59) RAF1BRAF
SCHEMBL30237033 0.90 RAF1 (0.59) RAF1BRAF
SCHEMBL29272397 0.88 RAF1 (0.49) RAF1BRAFKDR
SCHEMBL29272413 0.86 RAF1 (0.58) RAF1BRAFLCKKDRJAK3

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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