SCHEMBL5336071

SCHEMBL5336071

CNc1c(-c2ccnc(NC3CCC(NS(=O)(=O)N4CCOCC4)CC3)n2)cnn1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.51
GSK3B P49841 6/20 0.51
IKBKB O14920 5/20 0.51
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
MAPK10 P53779 3/20 0.47
CHUK O15111 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.44
CDK2 P24941 2/20 0.43
MAPK1 P28482 3/20 0.41
CCNE1 P24864 1/20 0.41
RET P07949 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
SCHEMBL5336074 1.00 CDK4 (0.51) CDK4GSK3BIKBKBMAPK8MAPK9
SCHEMBL8235105 0.82 CDK4 (0.51) CDK4GSK3BIKBKBMAPK8MAPK9
SCHEMBL5311802 0.79 PIK3C3 (0.58) CDK4GSK3BMAPK8MAPK9PIK3C3
SCHEMBL5311805 0.79 PIK3C3 (0.58) CDK4GSK3BMAPK8MAPK9PIK3C3
SCHEMBL5314460 0.78 CDK4 (0.47) CDK4GSK3BIKBKBMAPK8MAPK9
SCHEMBL5314457 0.78 CDK4 (0.47) CDK4GSK3BIKBKBMAPK8MAPK9
SCHEMBL5315799 0.76 CDK4 (0.47) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5315804 0.76 CDK4 (0.47) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL8227614 0.75 MAPK9 (0.57) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5312512 0.75 MAPK8 (0.49) CDK4GSK3BMAPK8MAPK9MAPK10

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