SCHEMBL14538480

SCHEMBL14538480

c1cn2c(-c3cn[nH]c3)cnc2c(Nc2sncc2C2CCCNC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 0.49
▸ AURKA O14965 6/20 0.49
▸ PTK6 Q13882 7/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ SYK P43405 1/20 0.37
▸ LCK P06239 5/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL14536797 0.95 AURKB (0.50) AURKBAURKAPTK6MAPKAPK5LCK
SCHEMBL8241222 0.85 AURKA (0.58) AURKBAURKASYKCHEK1
SCHEMBL13954832 0.83 AURKB (0.68) AURKBAURKAPTK6LCKCHEK1
SCHEMBL14507668 0.80 AURKB (0.65) AURKBAURKAPTK6MAPKAPK5SYK
SCHEMBL12473154 0.73 AURKB (0.74) AURKBAURKAPTK6LCKCHEK1
SCHEMBL13954948 0.72 AURKB (0.43) AURKBAURKAPTK6MAPKAPK5SYK
SCHEMBL12473053 0.71 AURKB (0.54) AURKBAURKAPTK6MAPKAPK5LCK
SCHEMBL8247800 0.71 AURKA (0.53) AURKBAURKAMAPKAPK5CHEK1
SCHEMBL13954945 0.70 PTK6 (0.53) AURKBAURKAPTK6MAPKAPK5LCK
SCHEMBL13954946 0.70 PTK6 (0.53) AURKBAURKAPTK6MAPKAPK5LCK

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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