SCHEMBL15083045

SCHEMBL15083045

CN1CCN(c2ccc(Nc3ncc(-c4ccn(C)c(=O)c4)n4ccnc34)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 14/20 0.74
FYN P06241 1/20 0.56
WEE1 P30291 2/20 0.45
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
FGFR1 P11362 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL1674341 0.85 MAPKAPK5 (1.00) MAPKAPK5FYNWEE1EGFR
SCHEMBL27254182 0.84 MAPKAPK5 (0.70) MAPKAPK5FYNEGFR
SCHEMBL1674404 0.84 MAPKAPK5 (0.70) MAPKAPK5FYNWEE1EGFR
SCHEMBL1674026 0.84 MAPKAPK5 (0.70) MAPKAPK5FYNWEE1EGFR
SCHEMBL1674234 0.83 MAPKAPK5 (0.66) MAPKAPK5FYN
SCHEMBL5574912 0.82 MAPKAPK5 (0.76) MAPKAPK5FYNWEE1AURKA
SCHEMBL14387680 0.82 MAPKAPK5 (0.69) MAPKAPK5FYNWEE1
SCHEMBL4392693 0.81 MAPKAPK5 (0.68) MAPKAPK5FYN
SCHEMBL2071019 0.81 MAPKAPK5 (0.80) MAPKAPK5FYNAURKA
SCHEMBL2070836 0.80 MAPKAPK5 (0.81) MAPKAPK5FYN

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-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed