SCHEMBL16404652

SCHEMBL16404652

CC(C)(C)c1ncn(-c2ccc(Nc3nccc(-c4cc(C#N)cc(N5CCCCCC5)c4)n3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.68
MAPK10 P53779 8/20 0.68
MAPK9 P45984 2/20 0.52
JAK2 O60674 6/20 0.49
CAMK2D Q13557 1/20 0.43
ACVR1 Q04771 1/20 0.42
JAK3 P52333 1/20 0.42
STK17A Q9UEE5 2/20 0.42
MYLK4 Q86YV6 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 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
SCHEMBL3746004 0.92 MAPK8 (0.81) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3753760 0.89 MAPK10 (0.84) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3748227 0.88 MAPK10 (0.86) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3760571 0.85 MAPK8 (0.65) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3752892 0.84 MAPK8 (0.78) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3764962 0.81 MAPK8 (0.61) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3760565 0.81 MAPK10 (1.00) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL8051697 0.81 MAPK8 (0.58) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3758673 0.81 MAPK10 (0.84) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3753577 0.80 MAPK10 (0.79) MAPK8MAPK10MAPK9JAK2JAK3

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