SCHEMBL14530020

SCHEMBL14530020

Nn1cc(-c2cnc3c(Nc4ccc(S(N)(=O)=O)cc4)nccn23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.62
▸ AURKB Q96GD4 5/20 0.49
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ MAPKAPK5 Q8IW41 7/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ CCNT1 O60563 2/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CCNE2 O96020 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39

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
SCHEMBL14530182 0.85 AURKA (0.53) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536959 0.85 TTK (0.54) AURKAAURKBTTKMAPKAPK5
SCHEMBL14537007 0.80 AURKA (0.48) AURKAAURKBTTKMAPKAPK5CDK2
SCHEMBL8239765 0.79 AURKA (0.80) AURKAAURKBTTKMAPKAPK5CDK2
SCHEMBL14537040 0.79 AURKA (0.48) AURKAAURKBTTKMAPKAPK5MAPT
SCHEMBL14536833 0.79 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536795 0.78 MAPKAPK5 (0.54) AURKAAURKBMAPKAPK5
SCHEMBL1674354 0.77 AURKA (0.65) AURKAAURKBCA12CA1CA2
SCHEMBL14537008 0.77 AURKA (0.46) AURKAAURKBTTK
SCHEMBL13157424 0.77 AURKA (0.76) AURKAAURKBTTKMAPKAPK5CDK2

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
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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