SCHEMBL5723191

SCHEMBL5723191

C#CCOc1nc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.55
CDK1 P06493 8/20 0.55
KDR P35968 5/20 0.55
CCNB1 P14635 2/20 0.45
CCNA2 P20248 3/20 0.42
CCNA1 P78396 3/20 0.42
CCNB2 O95067 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
CA2 P00918 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
SYK P43405 1/20 0.41
PTK2 Q05397 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
LRRK2 Q5S007 1/20 0.39
GSK3B P49841 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
STK4 Q13043 1/20 0.38

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
SCHEMBL5723541 0.88 CDK2 (0.50) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723276 0.88 CDK1 (0.57) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723409 0.87 CDK1 (0.56) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723317 0.86 CDK2 (0.59) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723568 0.82 CDK2 (0.51) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723725 0.81 CDK2 (0.50) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723688 0.81 CDK2 (0.56) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723476 0.81 CDK2 (0.49) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723609 0.80 CDK2 (0.49) CDK2CDK1KDRCCNB1CCNA2
SCHEMBL5723722 0.80 CDK2 (0.48) CDK2CDK1KDRCCNB1CCNA2

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
EP-1406876-B1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-27 EP disclosed