SCHEMBL20008197

SCHEMBL20008197

CCc1ncc(-c2cc(NC)ccc2C)nc1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
PIK3CA P42336 3/20 0.39
MTOR P42345 1/20 0.39
ABL1 P00519 1/20 0.38
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
ROCK2 O75116 6/20 0.35
ROCK1 Q13464 5/20 0.35
DHODH Q02127 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL20008213 0.91 RAF1 (0.38) RAF1BRAFPIK3CAMTORABL1
SCHEMBL20008422 0.85 PIK3CA (0.38) RAF1BRAFPIK3CAMTORPDCD1
SCHEMBL20009647 0.77 BRAF (0.47) RAF1BRAF
SCHEMBL20008211 0.77 BRAF (0.36) RAF1BRAFPIK3CAPDCD1CD274
SCHEMBL20008778 0.74 RAF1 (0.37) RAF1BRAFROCK2ROCK1
SCHEMBL20009415 0.73 RAF1 (0.37) RAF1BRAF
SCHEMBL20009117 0.70 RAF1 (0.40) RAF1BRAFMAPT
SCHEMBL20009443 0.69 RAF1 (0.37) RAF1BRAFROCK2ROCK1
SCHEMBL20008259 0.69 RAF1 (0.38) RAF1BRAF
SCHEMBL20009709 0.69 BRAF (0.39) 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