SCHEMBL20008237

SCHEMBL20008237

Cc1ccc(C)c(-c2ccnc(N3CCCCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
MAPK14 Q16539 8/20 0.46
RAF1 P04049 7/20 0.44
BRAF P15056 7/20 0.44
NMT1 P30419 1/20 0.43
CNR2 P34972 1/20 0.43
HSPB1 P04792 1/20 0.42
LYN P07948 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PROKR1 Q8TCW9 1/20 0.41

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
SCHEMBL20008239 0.86 BRAF (0.58) RAF1BRAFLRRK2
SCHEMBL11962824 0.80 HRH4 (0.58) HRH4MAPK14NMT1CNR2PROKR1
SCHEMBL20008122 0.78 SMN1; SMN2 (0.46) HRH4RAF1BRAF
SCHEMBL31415288 0.78 GRIN2D (0.57) HRH4MAPK14CNR2PROKR1
SCHEMBL4554066 0.78 GRIN2D (0.57) HRH4MAPK14CNR2PROKR1
SCHEMBL13575902 0.77 ALDH1A1 (0.43)
SCHEMBL1442527 0.77 CNR2 (0.43) HRH4CNR2
SCHEMBL20008452 0.76 GALR2 (0.44)
SCHEMBL12059087 0.74 GRIN2D (0.57) HRH4MAPK14PROKR1
SCHEMBL20008359 0.73 CNR2 (0.42) CNR2

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