SCHEMBL8235683

SCHEMBL8235683

Nc1[nH]ncc1-c1ccnc(NC2COCC2O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.48
MAPK8 P45983 14/20 0.48
MAPK9 P45984 13/20 0.48
CDK2 P24941 6/20 0.45
MAPK14 Q16539 2/20 0.45
MAP2K7 O14733 1/20 0.45
IKBKB O14920 1/20 0.45
MAPK13 O15264 1/20 0.45
MAP2K4 P45985 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.45
MAP2K6 P52564 1/20 0.45
MAPK12 P53778 1/20 0.45
CDK1 P06493 5/20 0.45
CDK4 P11802 5/20 0.45
CCNB1 P14635 5/20 0.45
CCNA2 P20248 5/20 0.45
CCND1 P24385 5/20 0.45
CCNA1 P78396 5/20 0.45
CCNE1 P24864 1/20 0.42

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
SCHEMBL8229255 0.78 CDK2 (0.59) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL5311762 0.75 CDK1 (0.74) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8233754 0.74 CDK1 (0.60) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8236156 0.74 CDK2 (0.70) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8236618 0.70 CDK2 (0.56) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8235924 0.70 MAPK8 (0.62) MAPK10MAPK8MAPK9CDK2CDK1
SCHEMBL8229243 0.69 CDK2 (0.41) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8235680 0.69 CDK2 (0.40) MAPK10MAPK8MAPK9CDK2MAPK14
SCHEMBL8233272 0.67 MKNK1 (0.60) GSK3BCDK4
SCHEMBL8234862 0.67 CDK2 (0.50) MAPK10MAPK8MAPK9CDK2MAPK14

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