SCHEMBL20008211

SCHEMBL20008211

CCCc1ncc(-c2cc(NC)cnc2C)nc1N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.36
RAF1 P04049 10/20 0.36
NPY5R Q15761 1/20 0.35
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PIK3CA P42336 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL20008422 0.91 PIK3CA (0.38) BRAFRAF1PDCD1CD274PIK3CA
SCHEMBL20008213 0.86 RAF1 (0.38) BRAFRAF1NPY5RPDCD1CD274
SCHEMBL20008238 0.81 KMO (0.37) BRAFRAF1
SCHEMBL20009647 0.80 BRAF (0.47) BRAFRAF1
SCHEMBL20008289 0.80 RAF1 (0.37) BRAFRAF1
SCHEMBL20008197 0.77 RAF1 (0.39) BRAFRAF1PDCD1CD274PIK3CA
SCHEMBL20008259 0.73 RAF1 (0.38) BRAFRAF1
SCHEMBL20008412 0.72 RAF1 (0.56) BRAFRAF1
SCHEMBL20008326 0.71 RAF1 (0.39) BRAFRAF1
SCHEMBL20008496 0.70 RAF1 (0.37) 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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed