SCHEMBL20008265

SCHEMBL20008265

CCCc1ncc(-c2cc(-c3ccnc(C(C)C)c3)cnc2C)cc1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.43
BRAF P15056 16/20 0.43
PIK3C3 Q8NEB9 3/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33

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
SCHEMBL20008154 0.90 RAF1 (0.45) RAF1BRAF
SCHEMBL20008287 0.83 RAF1 (0.44) RAF1BRAFPIK3C3
SCHEMBL20009417 0.83 RAF1 (0.42) RAF1BRAFPIK3C3ROCK2ROCK1
SCHEMBL20008289 0.76 RAF1 (0.37) RAF1BRAF
SCHEMBL20008520 0.70 RAF1 (0.71) RAF1BRAF
SCHEMBL20008778 0.70 RAF1 (0.37) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20009415 0.68 RAF1 (0.37) RAF1BRAF
SCHEMBL20010419 0.68 ALDH1A3 (0.36) RAF1BRAFROCK2ROCK1CDC42BPB
SCHEMBL20009444 0.68 RAF1 (0.58) RAF1BRAF
SCHEMBL20008259 0.67 RAF1 (0.38) RAF1BRAF

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed