SCHEMBL14529900

SCHEMBL14529900

CN1C=C(c2cnc3c(Nc4ccccc4)nccn23)CN1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.50
▸ AURKA O14965 6/20 0.44
▸ MAPKAPK5 Q8IW41 6/20 0.39
▸ AURKB Q96GD4 5/20 0.39
▸ FYN P06241 1/20 0.38
▸ FLT3 P36888 2/20 0.37
▸ SRC P12931 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
SCHEMBL14507206 0.90 TTK (0.41) TTKAURKAMAPKAPK5AURKBFYN
SCHEMBL14530729 0.89 AURKA (0.51) TTKAURKAMAPKAPK5AURKBFYN
SCHEMBL15146186 0.86 FYN (0.49) TTKAURKAMAPKAPK5AURKBFYN
SCHEMBL14530725 0.84 ABL1 (0.40) TTKAURKAAURKB
SCHEMBL14537080 0.81 AURKA (0.45) TTKAURKAMAPKAPK5AURKBFLT3
SCHEMBL14507243 0.80 EGFR (0.41) TTKAURKAMAPKAPK5AURKBFYN
SCHEMBL14529891 0.78 TTK (0.34) TTKFLT3
SCHEMBL14530155 0.78 AURKA (0.43) TTKAURKAMAPKAPK5AURKBFLT3
SCHEMBL8247273 0.77 AURKA (0.69) TTKAURKAMAPKAPK5AURKBFYN
SCHEMBL14530346 0.77 HTT (0.41) TTK

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
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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