SCHEMBL22653020

SCHEMBL22653020

Cc1ccc(NC(=O)N2CC[C@@H](OC(F)(F)F)C2)cc1-c1cc2cncnc2nc1C#N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 13/20 0.49
▸ BRAF P15056 5/20 0.39
▸ ABL1 P00519 2/20 0.39

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
SCHEMBL22612720 0.88 RAF1 (0.62) RAF1BRAFABL1
SCHEMBL30439610 0.88 RAF1 (0.62) RAF1BRAFABL1
SCHEMBL22625553 0.78 RAF1 (0.75) RAF1BRAFABL1
SCHEMBL22625547 0.78 RAF1 (0.75) RAF1BRAFABL1
SCHEMBL22612716 0.77 RAF1 (0.61) RAF1BRAFABL1
SCHEMBL22652917 0.75 RAF1 (0.56) RAF1BRAF
SCHEMBL30439599 0.75 RAF1 (0.62) RAF1BRAF
SCHEMBL22612762 0.75 RAF1 (0.62) RAF1BRAF
SCHEMBL29071314 0.72 RAF1 (0.51) RAF1
SCHEMBL22625527 0.69 RAF1 (0.53) RAF1BRAFABL1

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
WO-2020227020-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-11-12 — — WO disclosed
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