SCHEMBL14537079

SCHEMBL14537079

Nn1cc(-c2cnc3c(NCCO)nccn23)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.55
▸ FLT3 P36888 3/20 0.53
▸ AURKA O14965 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41

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
SCHEMBL8247604 0.86 TTK (0.58) TTKFLT3AURKAAURKB
SCHEMBL14536949 0.85 TTK (0.46) TTKFLT3AURKAAURKB
SCHEMBL14537008 0.82 AURKA (0.46) TTKFLT3AURKAAURKB
SCHEMBL5408560 0.80 TTK (0.65) TTKFLT3
SCHEMBL14537009 0.77 FLT3 (0.46) TTKFLT3AURKAAURKB
SCHEMBL14530182 0.76 AURKA (0.53) TTKFLT3AURKAAURKB
SCHEMBL14536959 0.76 TTK (0.54) TTKAURKAAURKB
SCHEMBL14529894 0.76 AURKA (0.42) TTKFLT3AURKAAURKB
SCHEMBL14529892 0.76 TTK (0.47) TTKAURKAAURKB
SCHEMBL5394360 0.75 FLT3 (0.56) TTKFLT3

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
Send feedback