SCHEMBL13737963

SCHEMBL13737963

CNS(=O)(=O)c1ncc(C(N)=O)c(NC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.49
▸ MAPK9 P45984 2/20 0.49
▸ SYK P43405 12/20 0.42
▸ JAK2 O60674 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ NNMT P40261 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL13735485 0.86 MAPK8 (0.51) MAPK8MAPK9SYKJAK2LRRK2
SCHEMBL15354455 0.77 MAPK8 (0.63) MAPK8MAPK9SYK
SCHEMBL15354453 0.77 MAPK8 (0.55) MAPK8MAPK9SYKJAK2MAPK1
SCHEMBL26626510 0.76 MAPK8 (0.54) MAPK8MAPK9SYKJAK2NNMT
SCHEMBL17485379 0.76 MAPK8 (0.54) MAPK8MAPK9SYKJAK2MAPK1
SCHEMBL13734182 0.73 MAPK8 (0.52) MAPK8MAPK9SYKJAK2MAPK1
SCHEMBL21162236 0.71 MAPK8 (0.56) MAPK8MAPK9SYK
SCHEMBL13734126 0.71 MAPK8 (0.50) MAPK8MAPK9SYKJAK2LRRK2
SCHEMBL30801501 0.71 MAPK8 (0.50) MAPK8MAPK9SYKJAK2LRRK2
SCHEMBL14659066 0.71 MAPK8 (0.59) MAPK8MAPK9SYKNNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 — — EP disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 — — WO disclosed
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