SCHEMBL20008287

SCHEMBL20008287

CCCc1ncc(-c2cc(-c3ccnc(C4CC4)c3)cnc2C)cc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.44
BRAF P15056 14/20 0.44
PIK3C3 Q8NEB9 5/20 0.34
PIK3CD O00329 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
SCHEMBL20009417 0.97 RAF1 (0.42) RAF1BRAFPIK3C3PIK3CD
SCHEMBL20008265 0.83 RAF1 (0.43) RAF1BRAFPIK3C3
SCHEMBL20008154 0.82 RAF1 (0.45) RAF1BRAF
SCHEMBL20008289 0.75 RAF1 (0.37) RAF1BRAF
SCHEMBL20008778 0.69 RAF1 (0.37) RAF1BRAF
SCHEMBL20009415 0.68 RAF1 (0.37) RAF1BRAF
SCHEMBL20010419 0.68 ALDH1A3 (0.36) RAF1BRAF
SCHEMBL20008331 0.67 RAF1 (0.43) RAF1BRAF
SCHEMBL20008259 0.66 RAF1 (0.38) RAF1BRAF
SCHEMBL20008496 0.66 RAF1 (0.37) 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