SCHEMBL20009436

SCHEMBL20009436

CNc1ccc(C)c(-c2ccc(CC3CCCCC3)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
ABL1 P00519 8/20 0.39
RAF1 P04049 1/20 0.36
HSPB1 P04792 1/20 0.36
LYN P07948 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL20008143 0.77 BRAF (0.38) MAPK14ABL1LRRK2
SCHEMBL20008219 0.73 ABL1 (0.43) ABL1RAF1
SCHEMBL20009446 0.71 RAF1 (0.41) RAF1
SCHEMBL21240974 0.70 MAP4K4 (0.42)
SCHEMBL27641375 0.67 SYK (0.35) LRRK2
SCHEMBL20009443 0.67 RAF1 (0.37) MAPK14RAF1HSPB1LYN
SCHEMBL20008778 0.65 RAF1 (0.37) MAPK14RAF1HSPB1LYN
SCHEMBL20008341 0.65 RAF1 (0.38) MAPK14RAF1
SCHEMBL20008313 0.65 ROCK2 (0.41) MAPK14RAF1HSPB1LYN
SCHEMBL10229782 0.65 CYP1A2 (0.51)

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