SCHEMBL5313461

SCHEMBL5313461

O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cnn4c3NCCC4)n2)CC1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.49
MAPK9 P45984 6/20 0.49
MAPK10 P53779 6/20 0.49
CDK4 P11802 12/20 0.46
GSK3B P49841 9/20 0.46
CDK2 P24941 5/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
MAP2K7 O14733 1/20 0.43
IKBKB O14920 1/20 0.43
MAPK13 O15264 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAP2K6 P52564 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK14 Q16539 1/20 0.43
CDK1 P06493 3/20 0.43
CCNA2 P20248 3/20 0.43
CCNE1 P24864 1/20 0.43
CCND3 P30281 1/20 0.43

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
SCHEMBL5313462 1.00 MAPK8 (0.49) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8229323 0.86 MAPK8 (0.58) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8227924 0.84 GSK3B (0.51) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8235927 0.81 CDK4 (0.55) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8233255 0.80 MAPK8 (0.57) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8235079 0.80 CDK9 (0.48) GSK3BCCNT1CDK9
SCHEMBL5315799 0.76 CDK4 (0.47) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL5315804 0.76 CDK4 (0.47) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8237571 0.72 CDK4 (0.51) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL8236037 0.71 MAPK8 (0.53) MAPK8MAPK9MAPK10CDK4GSK3B

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-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed