SCHEMBL14529892

SCHEMBL14529892

Nn1cc(-c2cnc3c(NCC4CCNC4)nccn23)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.47
▸ AURKB Q96GD4 4/20 0.45
▸ AURKA O14965 3/20 0.45
▸ IRAK4 Q9NWZ3 4/20 0.40
▸ IRAK1 P51617 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL8240997 0.89 AURKB (0.57) TTKAURKBAURKAIRAK4IRAK1
SCHEMBL8246569 0.83 AURKA (0.61) TTKAURKBAURKAIRAK4IRAK1
SCHEMBL14530017 0.81 FLT3 (0.56) TTKAURKBAURKAADORA3
SCHEMBL14536949 0.78 TTK (0.46) TTKAURKBAURKA
SCHEMBL14537008 0.77 AURKA (0.46) TTKAURKBAURKA
SCHEMBL14537009 0.77 FLT3 (0.46) TTKAURKBAURKAADORA3
SCHEMBL14537079 0.76 TTK (0.55) TTKAURKBAURKA
SCHEMBL14529893 0.74 ADORA3 (0.48) TTKAURKBAURKAADORA3
SCHEMBL13954859 0.72 FLT3 (0.47) TTKAURKBAURKAADORA3
SCHEMBL14529894 0.71 AURKA (0.42) TTKAURKBAURKA

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
Send feedback