SCHEMBL8052958

SCHEMBL8052958

C=C(/N=C\N(N)c1ccc(Nc2nccc(-c3cc(F)cc(N(C)C)c3)n2)cc1)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
CDK2 P24941 5/20 0.38
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
MAPK8 P45983 2/20 0.37
MAPK10 P53779 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK14 Q16539 1/20 0.37
SYK P43405 1/20 0.35
IKBKB O14920 1/20 0.35
MAPK9 P45984 1/20 0.35
EGFR P00533 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK4 P11802 2/20 0.35
PIM1 P11309 1/20 0.35
CCND3 P30281 1/20 0.35
MTOR P42345 1/20 0.35
GSK3B P49841 1/20 0.35
CCNE1 P24864 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
SCHEMBL8058010 0.86 MAPK8 (0.52) JAK2JAK3MAPK8MAPK10MAPK9
SCHEMBL3956266 0.74 JAK2 (0.47) JAK2JAK3CDK2CCNA2CCNA1
SCHEMBL3756330 0.74 MAPK10 (0.63) JAK2JAK3MAPK8MAPK10KCNH2
SCHEMBL13081436 0.70 MAPK8 (0.52) JAK2JAK3MAPK8MAPK10MAPK9
SCHEMBL8042573 0.70 JAK2 (0.42) JAK2JAK3CDK2CCNA2CCNA1
SCHEMBL3760337 0.68 MAPK10 (0.74) JAK2CDK2CCNA2CCNA1MAPK8
SCHEMBL16404685 0.66 MAPK8 (0.45) JAK2JAK3CDK2CCNA2CCNA1
SCHEMBL13081061 0.66 MAPK8 (0.56) JAK2JAK3MAPK8MAPK10MAPK9
SCHEMBL3760321 0.66 MAPK10 (0.62) JAK2MAPK8MAPK10KCNH2SYK
SCHEMBL13081434 0.65 MAPK8 (0.58) JAK2JAK3MAPK8MAPK10MAPK9

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
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed