SCHEMBL14529894

SCHEMBL14529894

CCCC(CCC)Nc1nccn2c(-c3cnn(N)c3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ TTK P33981 10/20 0.40
▸ FLT3 P36888 3/20 0.38

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
SCHEMBL14536949 0.82 TTK (0.46) AURKAAURKBTTKFLT3
SCHEMBL14537008 0.80 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL14537079 0.76 TTK (0.55) AURKAAURKBTTKFLT3
SCHEMBL14537009 0.74 FLT3 (0.46) AURKAAURKBTTKFLT3
SCHEMBL14536959 0.74 TTK (0.54) AURKAAURKBTTK
SCHEMBL14530182 0.74 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL14536772 0.73 AURKA (0.51) AURKAAURKBTTKFLT3
SCHEMBL14536731 0.72 AURKA (0.49) AURKAAURKBTTKFLT3
SCHEMBL14529893 0.72 ADORA3 (0.48) AURKAAURKBTTKFLT3
SCHEMBL14538587 0.72 AURKA (0.44) AURKAAURKBTTKFLT3

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
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