SCHEMBL8235105

SCHEMBL8235105

CNc1c(-c2ccnc(N[C@H]3CC[C@H](NC(=O)N4CCOCC4)CC3)n2)cnn1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.51
GSK3B P49841 5/20 0.51
PIK3C3 Q8NEB9 2/20 0.44
MAPK8 P45983 7/20 0.44
MAPK9 P45984 7/20 0.44
CDK2 P24941 3/20 0.44
JUN P05412 3/20 0.44
MAPK10 P53779 5/20 0.43
CCNE1 P24864 1/20 0.43
IKBKB O14920 2/20 0.43
MAPK1 P28482 2/20 0.41
RET P07949 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL8236158 0.91 CDK4 (0.47) CDK4GSK3BMAPK8MAPK9CDK2
SCHEMBL5315799 0.83 CDK4 (0.47) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5315804 0.83 CDK4 (0.47) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5336074 0.82 CDK4 (0.51) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5336071 0.82 CDK4 (0.51) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5311805 0.79 PIK3C3 (0.58) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5311802 0.79 PIK3C3 (0.58) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5314457 0.75 CDK4 (0.47) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5314460 0.75 CDK4 (0.47) CDK4GSK3BPIK3C3MAPK8MAPK9
SCHEMBL5315255 0.74 MAPK8 (0.54) CDK4GSK3BPIK3C3MAPK8MAPK9

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