SCHEMBL5315799

SCHEMBL5315799

CNc1c(-c2ccnc(N[C@H]3CC[C@H](NC(=O)C4CC4)CC3)n2)cnn1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.47
GSK3B P49841 8/20 0.47
CDK2 P24941 3/20 0.47
MAPK8 P45983 3/20 0.46
MAPK9 P45984 3/20 0.46
MAPK10 P53779 3/20 0.46
PIK3C3 Q8NEB9 3/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNB2 O95067 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CCNA1 P78396 2/20 0.41
RET P07949 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
SCHEMBL5315804 1.00 CDK4 (0.47) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5311805 0.83 PIK3C3 (0.58) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5311802 0.83 PIK3C3 (0.58) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8235105 0.83 CDK4 (0.51) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5314457 0.79 CDK4 (0.47) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5314460 0.79 CDK4 (0.47) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5315255 0.78 MAPK8 (0.54) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5315259 0.78 MAPK8 (0.54) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8233932 0.77 CDK1 (0.56) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5313461 0.76 MAPK8 (0.49) CDK4GSK3BCDK2MAPK8MAPK9

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