SCHEMBL4783359

SCHEMBL4783359

Cc1ncc(NC(=O)c2cc(C(C)(C)C)cc(C#N)c2OCCN2CCN(C)CC2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.35
NR1I2 O75469 1/20 0.34
MET P08581 4/20 0.33
RET P07949 1/20 0.32
BRAF P15056 3/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
FGFR4 P22455 2/20 0.32
WDR5 P61964 2/20 0.31
KMT2A Q03164 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
RAF1 P04049 1/20 0.31

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
SCHEMBL4783352 0.91 MAPK14 (0.36) MAPK14NR1I2METRETBRAF
SCHEMBL4728294 0.82 EGFR (0.40) MAPK14RETBRAFNTRK1NTRK3
SCHEMBL4799766 0.82 DDT (0.32) MAPK14NR1I2BRAFMALT1RAF1
SCHEMBL4779210 0.78 TEK (0.41) NR1I2BRAFRAF1
SCHEMBL4783259 0.78 MAPK14 (0.34) MAPK14NR1I2BRAFMALT1
SCHEMBL4781875 0.78 SCN10A (0.34) MAPK14NR1I2BRAFMALT1RAF1
SCHEMBL13843781 0.77 APP (0.36) MAPK14NR1I2BRAF
SCHEMBL4779088 0.76 DDR2 (0.38) BRAFNTRK1NTRK3NTRK2
SCHEMBL4780945 0.76 DDT (0.33) NR1I2KMT2A
SCHEMBL4781726 0.76 MAPK14 (0.41) MAPK14KMT2AMALT1

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