SCHEMBL14530388

SCHEMBL14530388

CN1CC(c2cnc3c(NCC4CCNCC4)nccn23)C=N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.48
▸ TTK P33981 2/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ IRAK1 P51617 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
SCHEMBL8429700 0.78 AURKA (0.63) ADORA3FLT3AURKAAURKB
SCHEMBL8246569 0.73 AURKA (0.61) ADORA3TTKFLT3AURKAAURKB
SCHEMBL14538353 0.73 TTK (0.46) ADORA3TTKFLT3BRD4ATAD2
SCHEMBL8426757 0.72 CHRNB2 (0.37) ADORA3TTKFLT3AURKAAURKB
SCHEMBL14533966 0.71 AURKA (0.37) ADORA3AURKAAURKB
SCHEMBL14534093 0.71 AURKA (0.53) ADORA3FLT3AURKAAURKB
SCHEMBL8426673 0.70 AURKA (0.56) ADORA3AURKAAURKB
SCHEMBL8427933 0.70 ZAP70 (0.35) ADORA3TTKFLT3AURKA
SCHEMBL8427761 0.69 AURKA (0.36) ADORA3AURKAAURKB
SCHEMBL14534027 0.69 AHCY (0.30) ADORA3

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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