SCHEMBL4782895

SCHEMBL4782895

CCOC(=O)c1cn(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.41
NR1I2 O75469 2/20 0.40
BRAF P15056 8/20 0.36
RAF1 P04049 7/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL14293386 0.89 TEK (0.43) TEKNR1I2BRAFRAF1
SCHEMBL4782886 0.88 NR1I2 (0.38) NR1I2ALDH1A1SMN1; SMN2LMNAGPR119
SCHEMBL4779210 0.87 TEK (0.41) TEKNR1I2BRAFRAF1
SCHEMBL4782117 0.86 TEK (0.41) TEKNR1I2BRAFRAF1
SCHEMBL4780202 0.86 TEK (0.42) TEKNR1I2BRAFRAF1
SCHEMBL4783784 0.85 TEK (0.40) TEKNR1I2BRAFRAF1
SCHEMBL4780039 0.85 TEK (0.40) TEKNR1I2BRAFRAF1
SCHEMBL4782878 0.84 TEK (0.39) TEKNR1I2BRAFRAF1
SCHEMBL4846574 0.84 TEK (0.39) TEKNR1I2BRAFRAF1
SCHEMBL4782881 0.84 TEK (0.39) 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