SCHEMBL5725916

SCHEMBL5725916

Oc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.43
MAPK9 P45984 9/20 0.43
MAPK10 P53779 3/20 0.42
CSNK1D P48730 1/20 0.41
CDK4 P11802 2/20 0.41
GSK3B P49841 1/20 0.41
PIKFYVE Q9Y2I7 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
SCHEMBL5214451 0.90 CSNK1D (0.51) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL5214934 0.88 EIF2AK2 (0.51) MAPK8MAPK9MAPK10CDK4GSK3B
SCHEMBL5726203 0.86 EIF2AK2 (0.41) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL5726088 0.84 EIF2AK2 (0.42) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL5724993 0.83 CSNK1D (0.48) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL6182652 0.82 GSK3B (0.58) GSK3B
SCHEMBL5725747 0.81 EIF2AK2 (0.48) MAPK8MAPK9MAPK10GSK3B
SCHEMBL6105772 0.81 CDK4 (0.44) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL5725886 0.81 CSNK1D (0.46) MAPK8MAPK9MAPK10CSNK1DCDK4
SCHEMBL5463503 0.80 MAPK10 (0.43) MAPK8MAPK9MAPK10CSNK1DCDK4

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-1377575-B1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-07-05 EP disclosed