SCHEMBL4782863

SCHEMBL4782863

Cc1ncc(C(=O)Nc2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NN2CCCCC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
TEK Q02763 4/20 0.37
BRAF P15056 10/20 0.35
RAF1 P04049 7/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
MAPK14 Q16539 1/20 0.32
CNR1 P21554 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
SCHEMBL4780817 0.91 NR1I2 (0.36) NR1I2TEKSCN10AGPR119CNR1
SCHEMBL4782660 0.85 NR1I2 (0.42) NR1I2TEKBRAFRAF1SCN10A
SCHEMBL4779949 0.84 MAPK14 (0.37) NR1I2BRAFMAPK14CNR1
SCHEMBL4783140 0.83 MAPK14 (0.36) NR1I2BRAFRAF1MAPK14
SCHEMBL4880891 0.81 TEK (0.38) NR1I2TEKBRAFRAF1SCN10A
SCHEMBL4781611 0.80 TEK (0.39) NR1I2TEKBRAF
SCHEMBL4782191 0.80 MEN1 (0.47) NR1I2TEKBRAFRAF1
SCHEMBL14293386 0.80 TEK (0.43) NR1I2TEKBRAFRAF1
SCHEMBL4782038 0.79 TEK (0.39) NR1I2TEKBRAFRAF1GPR119
SCHEMBL4781875 0.79 SCN10A (0.34) NR1I2BRAFRAF1SCN10AMAPK14

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed