SCHEMBL2196472

SCHEMBL2196472

O=c1cc(-c2ncc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3ncnn23)cc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.53
CDK4 P11802 12/20 0.38
CCND1 P24385 12/20 0.38
CCND2 P30279 9/20 0.38
CCND3 P30281 9/20 0.38
CDK6 Q00534 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NUAK1 O60285 2/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
MARK3 P27448 1/20 0.37
MARK2 Q7KZI7 1/20 0.37
MARK4 Q96L34 1/20 0.37
NUAK2 Q9H093 1/20 0.37
MARK1 Q9P0L2 1/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 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
SCHEMBL1046099 0.87 MAPKAPK5 (0.58) MAPKAPK5CDK4CCND1CCND2CCND3
SCHEMBL1048035 0.85 MAPKAPK5 (0.57) MAPKAPK5CDK4CCND1CCND2CCND3
SCHEMBL1047106 0.84 MAPKAPK5 (0.60) MAPKAPK5CDK4CCND1CDK6HRH3
SCHEMBL2200727 0.81 ACVR1 (0.44) MAPKAPK5CDK4CCND1CCND2CCND3
SCHEMBL2197955 0.77 ACVR1 (0.45) MAPKAPK5HRH3FGFR1FGFR4ALDH1A1
SCHEMBL10134462 0.76 MAPKAPK5 (0.58) MAPKAPK5CDK4CCND1CCND2CCND3
SCHEMBL1043477 0.74 MAPKAPK5 (0.76) MAPKAPK5
SCHEMBL1044262 0.73 CDK4 (0.41) CDK4CCND1CCND2CCND3CDK6
SCHEMBL1047036 0.73 MAPKAPK5 (0.62) MAPKAPK5CDK4CCND1CCND2CCND3
SCHEMBL10134496 0.73 MAPKAPK5 (0.57) MAPKAPK5CDK4CCND1CCND2CCND3

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
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed