SCHEMBL16404668

SCHEMBL16404668

Cc1ncn(-c2ccc(Nc3nccc(-c4cc(N5CCOCC5)ccc4C=O)n3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.70
MAPK8 P45983 8/20 0.70
MAPK9 P45984 3/20 0.54
JAK2 O60674 8/20 0.52
JAK3 P52333 3/20 0.51
AURKA O14965 2/20 0.50
CDK4 P11802 2/20 0.50
CDK2 P24941 2/20 0.50
AURKB Q96GD4 2/20 0.50
KDR P35968 2/20 0.50
PTK2 Q05397 2/20 0.50
JAK1 P23458 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
CHEK1 O14757 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49

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
SCHEMBL3748934 0.87 MAPK10 (0.69) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3761364 0.85 MAPK10 (0.72) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3752884 0.83 MAPK10 (0.72) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3752672 0.82 MAPK8 (1.00) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3750767 0.80 MAPK10 (0.73) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3756296 0.79 MAPK10 (0.82) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL8058492 0.78 MAPK10 (0.70) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3760565 0.77 MAPK10 (1.00) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3748793 0.77 MAPK10 (0.74) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3759032 0.77 MAPK10 (0.67) MAPK10MAPK8MAPK9JAK2JAK3

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