SCHEMBL14530385

SCHEMBL14530385

Nn1cc(-c2cnc3c(Nc4ccc5c(c4)NCCC5)nccn23)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.45
▸ AURKB Q96GD4 6/20 0.42
▸ MAPKAPK5 Q8IW41 7/20 0.41
▸ PTK6 Q13882 1/20 0.40
▸ TTK P33981 1/20 0.37
▸ WEE1 P30291 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL8247437 0.90 AURKA (0.57) AURKAAURKBMAPKAPK5PTK6FYN
SCHEMBL14537084 0.84 AURKA (0.46) AURKAAURKB
SCHEMBL14537083 0.83 PTK6 (0.56) AURKAAURKBMAPKAPK5PTK6
SCHEMBL14537040 0.78 AURKA (0.48) AURKAAURKBMAPKAPK5PTK6TTK
SCHEMBL14530182 0.77 AURKA (0.53) AURKAAURKBMAPKAPK5TTKFYN
SCHEMBL14536959 0.77 TTK (0.54) AURKAAURKBMAPKAPK5TTKFYN
SCHEMBL8426888 0.77 AURKA (0.58) AURKAAURKBMAPKAPK5PTK6
SCHEMBL14530183 0.77 AURKA (0.45) AURKAAURKBMAPKAPK5PTK6TTK
SCHEMBL14537044 0.77 AURKA (0.45) AURKAAURKBMAPKAPK5PTK6TTK
SCHEMBL14536795 0.77 MAPKAPK5 (0.54) AURKAAURKBMAPKAPK5PTK6FYN

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
Send feedback