SCHEMBL14530183

SCHEMBL14530183

Nn1cc(-c2cnc3c(Nc4ccc5ncoc5c4)nccn23)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.45
▸ AURKB Q96GD4 6/20 0.41
▸ MAPKAPK5 Q8IW41 9/20 0.39
▸ FYN P06241 1/20 0.37
▸ PRKD1 Q15139 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ PTK6 Q13882 1/20 0.36

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
SCHEMBL8246949 0.89 AURKA (0.58) AURKAAURKBMAPKAPK5FYNPRKD1
SCHEMBL14536831 0.81 AURKA (0.46) AURKAAURKBMAPKAPK5PRKD1TTK
SCHEMBL14537040 0.80 AURKA (0.48) AURKAAURKBMAPKAPK5FYNTTK
SCHEMBL14536950 0.79 AURKA (0.44) AURKAAURKBTTKPTK6
SCHEMBL14530182 0.79 AURKA (0.53) AURKAAURKBMAPKAPK5FYNTTK
SCHEMBL14536959 0.79 TTK (0.54) AURKAAURKBMAPKAPK5FYNTTK
SCHEMBL14536953 0.79 AURKA (0.42) AURKAAURKBMAPKAPK5FYNTTK
SCHEMBL14537044 0.77 AURKA (0.45) AURKAAURKBMAPKAPK5PRKD1TTK
SCHEMBL14536853 0.77 AURKA (0.46) AURKAAURKBMAPKAPK5TTKPTK6
SCHEMBL14530385 0.77 AURKA (0.45) AURKAAURKBMAPKAPK5FYNTTK

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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