SCHEMBL14538650

SCHEMBL14538650

Cn1cc(-c2cnc3c(Nc4cc(C5CCN(C(=O)O)C5)ns4)nccn23)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 17/20 0.72
▸ AURKB Q96GD4 17/20 0.72
▸ CHEK1 O14757 2/20 0.42
▸ LCK P06239 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL12404508 0.93 AURKA (0.71) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404510 0.90 AURKA (0.67) AURKAAURKBCHEK1LCKKDR
SCHEMBL14507329 0.89 AURKA (0.66) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404517 0.89 AURKA (0.68) AURKAAURKBCHEK1LCKKDR
SCHEMBL14538376 0.87 AURKB (0.74) AURKAAURKBCHEK1LCKKDR
SCHEMBL8247165 0.87 AURKA (0.74) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404514 0.87 AURKB (0.71) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404515 0.86 AURKA (0.64) AURKAAURKBCHEK1LCKKDR
SCHEMBL8240362 0.86 AURKB (0.88) AURKAAURKBCHEK1LCK
SCHEMBL8246690 0.86 AURKA (0.70) AURKAAURKBCHEK1

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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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