SCHEMBL5214934

SCHEMBL5214934

COc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.51
GSK3B P49841 6/20 0.47
MAPK10 P53779 3/20 0.44
MAPK8 P45983 5/20 0.41
MAPK9 P45984 5/20 0.41
CREBBP Q92793 1/20 0.41
CDK4 P11802 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
SCHEMBL5725747 0.93 EIF2AK2 (0.48) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5220849 0.90 EIF2AK2 (0.50) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5726088 0.89 EIF2AK2 (0.42) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5726203 0.89 EIF2AK2 (0.41) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5214451 0.88 CSNK1D (0.51) GSK3BMAPK10MAPK8MAPK9CDK4
SCHEMBL5725916 0.88 MAPK8 (0.43) GSK3BMAPK10MAPK8MAPK9CDK4
SCHEMBL5214737 0.84 EIF2AK2 (0.47) EIF2AK2GSK3BMAPK10CDK4
SCHEMBL5725659 0.82 MAPK9 (0.46) GSK3BMAPK10MAPK8MAPK9CDK4
SCHEMBL5724993 0.82 CSNK1D (0.48) GSK3BMAPK10MAPK8MAPK9CDK4
SCHEMBL6105305 0.82 EIF2AK2 (0.51) 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-1377575-B1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-07-05 EP claimed
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed