SCHEMBL14530729

SCHEMBL14530729

CN1C=C(c2cnc3c(Nc4ccc(S(=O)(=O)c5ccccc5)cc4)nccn23)CN1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.51
▸ AURKB Q96GD4 4/20 0.45
▸ TTK P33981 1/20 0.44
▸ MAPKAPK5 Q8IW41 8/20 0.39
▸ FYN P06241 1/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ EGFR P00533 1/20 0.33

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
SCHEMBL14529900 0.89 TTK (0.50) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL8240172 0.81 AURKA (0.76) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14507206 0.80 TTK (0.41) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14530725 0.77 ABL1 (0.40) AURKAAURKBTTKEGFR
SCHEMBL15146186 0.76 FYN (0.49) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14537080 0.74 AURKA (0.45) AURKAAURKBTTKMAPKAPK5
SCHEMBL14529891 0.73 TTK (0.34) TTK
SCHEMBL14530346 0.72 HTT (0.41) TTK
SCHEMBL14507243 0.71 EGFR (0.41) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14530155 0.71 AURKA (0.43) AURKAAURKBTTKMAPKAPK5

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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