SCHEMBL29272329

SCHEMBL29272329

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.62
▸ CYP2C9 P11712 5/20 0.62
▸ RAF1 P04049 6/20 0.54

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
SCHEMBL30236302 1.00 BRAF (0.62) BRAFCYP2C9RAF1
SCHEMBL29272266 0.91 BRAF (0.68) BRAFCYP2C9RAF1
SCHEMBL30236585 0.91 BRAF (0.68) BRAFCYP2C9RAF1
SCHEMBL29272360 0.89 BRAF (0.48) BRAFCYP2C9RAF1
SCHEMBL30237000 0.89 BRAF (0.48) BRAFCYP2C9RAF1
SCHEMBL30236692 0.89 RAF1 (0.55) BRAFRAF1
SCHEMBL29272078 0.89 RAF1 (0.55) BRAFRAF1
SCHEMBL29272227 0.89 RAF1 (0.60) BRAFRAF1
SCHEMBL30236732 0.89 RAF1 (0.60) BRAFRAF1
SCHEMBL29272409 0.88 LCK (0.61) BRAFRAF1

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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