SCHEMBL16404642

SCHEMBL16404642

Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(N5CCCC(C)C5)c(C#N)c4)n3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.56
MAPK8 P45983 6/20 0.56
TBK1 Q9UHD2 5/20 0.48
MAPK9 P45984 2/20 0.44
JAK2 O60674 7/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
JAK3 P52333 2/20 0.41
JAK1 P23458 1/20 0.41
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL3758899 0.92 MAPK10 (0.56) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3764858 0.90 MAPK10 (0.54) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3756434 0.90 MAPK10 (0.62) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3754746 0.87 MAPK10 (0.59) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3756008 0.86 MAPK10 (0.55) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3763094 0.86 MAPK10 (0.61) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3759004 0.85 MAPK10 (0.74) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3753592 0.85 MAPK10 (0.62) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3751056 0.84 MAPK10 (0.56) MAPK10MAPK8TBK1MAPK9JAK2
SCHEMBL3764854 0.84 MAPK10 (0.61) MAPK10MAPK8TBK1MAPK9JAK2

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
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed