SCHEMBL5214737

SCHEMBL5214737

COc1ccc(-c2nn3c(SC)cc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.47
GSK3B P49841 6/20 0.44
MAPK10 P53779 3/20 0.43
CDK4 P11802 4/20 0.38
KDR P35968 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
CSNK1D P48730 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL5214613 0.91 EIF2AK2 (0.46) EIF2AK2GSK3BMAPK10CDK4CDK1
SCHEMBL5214999 0.91 EIF2AK2 (0.46) EIF2AK2GSK3BMAPK10CDK4KDR
SCHEMBL5215526 0.90 CSNK1D (0.47) GSK3BMAPK10CDK4CDK2CSNK1D
SCHEMBL5216777 0.90 GSK3B (0.47) EIF2AK2GSK3BMAPK10CDK4MKNK1
SCHEMBL5214934 0.84 EIF2AK2 (0.51) EIF2AK2GSK3BMAPK10CDK4
SCHEMBL5890307 0.83 EIF2AK2 (0.50) EIF2AK2GSK3BMAPK10CDK4
SCHEMBL5890132 0.82 EIF2AK2 (0.49) EIF2AK2GSK3BMAPK10
SCHEMBL6105305 0.82 EIF2AK2 (0.51) EIF2AK2GSK3BMAPK10CDK4KDR
SCHEMBL5453019 0.82 EIF2AK2 (0.50) EIF2AK2GSK3BMAPK10CDK4KDR
SCHEMBL5890058 0.81 EIF2AK2 (0.49) EIF2AK2GSK3BMAPK10CDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP claimed
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed