SCHEMBL8227608

SCHEMBL8227608

Cn1ncc(-c2ccnc(NC3CCCC3)n2)c1N1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.59
MAPK8 P45983 3/20 0.59
MAPK10 P53779 1/20 0.59
CDK4 P11802 8/20 0.49
CDK1 P06493 7/20 0.49
CDK2 P24941 7/20 0.49
CCNB1 P14635 6/20 0.49
CCNA2 P20248 5/20 0.49
CCND1 P24385 4/20 0.49
CCNA1 P78396 4/20 0.49
CCNB2 O95067 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
GSK3B P49841 3/20 0.47
IKBKB O14920 1/20 0.46
CCNE1 P24864 3/20 0.45
CCND3 P30281 2/20 0.45
CDK6 Q00534 2/20 0.45
HRH4 Q9H3N8 3/20 0.44
SMO Q99835 1/20 0.44

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
SCHEMBL8233530 0.86 CDK4 (0.57) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8227614 0.81 MAPK9 (0.57) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8235114 0.80 MAPK9 (0.56) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8233261 0.76 CDK4 (0.57) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8227898 0.75 IKBKB (0.60) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8228078 0.75 MAPK8 (0.54) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8235871 0.75 CDK4 (0.58) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL8233932 0.72 CDK1 (0.56) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL23838253 0.72 PIK3C3 (0.59) MAPK9MAPK8MAPK10CDK4CDK1
SCHEMBL18480113 0.72 PIK3C3 (0.61) MAPK9MAPK8MAPK10CDK4CDK1

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