SCHEMBL4782038

SCHEMBL4782038

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NN2C(C)CCCC2C)nn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.39
NR1I2 O75469 1/20 0.36
RAF1 P04049 8/20 0.34
BRAF P15056 8/20 0.34
RORC P51449 4/20 0.33
GPR119 Q8TDV5 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
SCHEMBL4782033 0.91 NR1I2 (0.35) TEKNR1I2GPR119
SCHEMBL4781611 0.87 TEK (0.39) TEKNR1I2BRAFRORC
SCHEMBL14293386 0.86 TEK (0.43) TEKNR1I2RAF1BRAF
SCHEMBL4780719 0.85 TEK (0.39) TEKNR1I2RAF1BRAFRORC
SCHEMBL4780202 0.84 TEK (0.42) TEKNR1I2RAF1BRAF
SCHEMBL4783260 0.84 MAPK14 (0.31) NR1I2RAF1BRAF
SCHEMBL4779210 0.84 TEK (0.41) TEKNR1I2RAF1BRAF
SCHEMBL4783842 0.83 TEK (0.38) TEKNR1I2
SCHEMBL4782957 0.83 BRAF (0.42) TEKBRAF
SCHEMBL4782191 0.82 MEN1 (0.47) TEKNR1I2RAF1BRAF

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