SCHEMBL4779210

SCHEMBL4779210

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.41
NR1I2 O75469 1/20 0.38
DDT P30046 2/20 0.34
BRAF P15056 9/20 0.33
RAF1 P04049 8/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL4783784 0.93 TEK (0.40) TEKNR1I2DDTBRAFRAF1
SCHEMBL4782660 0.91 NR1I2 (0.42) TEKNR1I2DDTBRAFRAF1
SCHEMBL4780039 0.90 TEK (0.40) TEKNR1I2DDTBRAFRAF1
SCHEMBL4880891 0.90 TEK (0.38) TEKNR1I2BRAFRAF1
SCHEMBL4779207 0.89 NR1I2 (0.38) TEKNR1I2DDTMIF
SCHEMBL14293386 0.89 TEK (0.43) TEKNR1I2BRAFRAF1
SCHEMBL4779480 0.89 TEK (0.40) TEKNR1I2BRAFRAF1
SCHEMBL4780202 0.88 TEK (0.42) TEKNR1I2BRAFRAF1
SCHEMBL4778561 0.88 DDT (0.45) NR1I2DDT
SCHEMBL4782191 0.87 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