SCHEMBL29272469

SCHEMBL29272469

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 19/20 0.47
▸ BRAF P15056 16/20 0.47
▸ LCK P06239 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ ARAF P10398 1/20 0.42

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
SCHEMBL30236400 1.00 RAF1 (0.47) RAF1BRAFLCKKDRJAK3
SCHEMBL30236184 0.94 RAF1 (0.53) RAF1BRAFLCKKDRJAK3
SCHEMBL29272482 0.94 RAF1 (0.53) RAF1BRAFLCKKDRJAK3
SCHEMBL29272311 0.92 RAF1 (0.44) RAF1BRAFLCKKDRJAK3
SCHEMBL30236405 0.92 RAF1 (0.44) RAF1BRAFLCKKDRJAK3
SCHEMBL30237000 0.89 BRAF (0.48) RAF1BRAF
SCHEMBL29272360 0.89 BRAF (0.48) RAF1BRAF
SCHEMBL30236886 0.86 RAF1 (0.58) RAF1BRAF
SCHEMBL29272307 0.86 RAF1 (0.58) RAF1BRAF
SCHEMBL29272078 0.85 RAF1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 — — CN disclosed
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