SCHEMBL4049795

SCHEMBL4049795

Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(N5CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC6(CC5)OCCO6)c(C#N)c4)n3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.56
MAPK8 P45983 7/20 0.56
TBK1 Q9UHD2 5/20 0.50
JAK2 O60674 7/20 0.45
MAPK9 P45984 2/20 0.44
MYLK4 Q86YV6 1/20 0.41
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL3758775 0.96 MAPK10 (0.60) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3756434 0.90 MAPK10 (0.62) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3759004 0.86 MAPK10 (0.74) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL8057480 0.85 MAPK10 (0.59) MAPK10MAPK8JAK2MAPK9
SCHEMBL3764854 0.85 MAPK10 (0.61) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3753592 0.84 MAPK10 (0.62) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3763094 0.83 MAPK10 (0.61) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3754746 0.82 MAPK10 (0.59) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL16404642 0.81 MAPK10 (0.56) MAPK10MAPK8TBK1JAK2MAPK9
SCHEMBL3759133 0.81 MAPK10 (0.73) MAPK10MAPK8TBK1JAK2MAPK9

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-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed