SCHEMBL4779480

SCHEMBL4779480

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(C)(C)C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.40
NR1I2 O75469 1/20 0.37
BRAF P15056 11/20 0.32
RAF1 P04049 10/20 0.32
TAS2R8 Q9NYW2 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
SCHEMBL4779210 0.89 TEK (0.41) TEKNR1I2BRAFRAF1
SCHEMBL14293386 0.83 TEK (0.43) TEKNR1I2BRAFRAF1
SCHEMBL4783784 0.82 TEK (0.40) TEKNR1I2BRAFRAF1
SCHEMBL4782895 0.81 TEK (0.41) TEKNR1I2BRAFRAF1
SCHEMBL4780039 0.81 TEK (0.40) TEKNR1I2BRAFRAF1
SCHEMBL4782117 0.80 TEK (0.41) TEKNR1I2BRAFRAF1
SCHEMBL4782660 0.80 NR1I2 (0.42) TEKNR1I2BRAFRAF1
SCHEMBL4780202 0.80 TEK (0.42) TEKNR1I2BRAFRAF1
SCHEMBL4880891 0.79 TEK (0.38) TEKNR1I2BRAFRAF1
SCHEMBL4782191 0.78 MEN1 (0.47) TEKNR1I2BRAFRAF1

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