SCHEMBL14530391

SCHEMBL14530391

Cc1nsc(Nc2nccn3c(-c4cn[nH]c4)cnc23)c1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 0.51
▸ AURKA O14965 12/20 0.51
▸ LCK P06239 2/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ PLK3 Q9H4B4 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ PTK6 Q13882 1/20 0.43

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
SCHEMBL8240324 0.82 AURKA (0.66) AURKBAURKAMAPKAPK5CHEK1PTK6
SCHEMBL12473048 0.79 LCK (0.74) AURKBAURKALCKCHEK1EGFR
SCHEMBL14530178 0.77 AURKB (0.49) AURKBAURKALCKMAPKAPK5CHEK1
SCHEMBL12473053 0.75 AURKB (0.54) AURKBAURKALCKMAPKAPK5CHEK1
SCHEMBL14507803 0.75 AURKB (0.68) AURKBAURKALCKMAPKAPK5CHEK1
SCHEMBL30138985 0.74 MAPKAPK5 (0.62) AURKBAURKALCKMAPKAPK5CHEK1
SCHEMBL14536960 0.74 MAPKAPK5 (0.62) AURKBAURKALCKMAPKAPK5CHEK1
SCHEMBL14538361 0.73 AURKB (0.59) AURKBAURKALCKCHEK1KDR
SCHEMBL13955030 0.71 AURKB (0.57) AURKBAURKALCKCHEK1EGFR
SCHEMBL14536797 0.71 AURKB (0.50) AURKBAURKALCKMAPKAPK5CHEK1

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 3 patents. 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
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
Send feedback