SCHEMBL14537013

SCHEMBL14537013

INn1cc(-c2cnc3c(Nc4nccs4)nccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.48
▸ AURKB Q96GD4 7/20 0.48
▸ FLT3 P36888 1/20 0.34
▸ TTK P33981 8/20 0.34
▸ AXL P30530 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ GRM4 Q14833 1/20 0.31

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
SCHEMBL8240802 0.84 AURKA (0.66) AURKAAURKBFLT3TTKAXL
SCHEMBL14536731 0.84 AURKA (0.49) AURKAAURKBFLT3TTKAXL
SCHEMBL10161077 0.72 MAPKAPK5 (0.55) AURKAAURKBGRM4
SCHEMBL30806208 0.70 GRM4 (0.38) AURKAAURKBGRM4
SCHEMBL8246421 0.70 AURKA (0.63) AURKAAURKBFLT3TTK
SCHEMBL14530166 0.70 AURKA (0.48) AURKAAURKBFLT3TTK
SCHEMBL14536958 0.69 AURKA (0.36) AURKAAURKBFLT3TTKGRM4
SCHEMBL8239869 0.69 AURKA (0.68) AURKAAURKBFLT3TTK
SCHEMBL13954584 0.67 AURKA (0.53) AURKAAURKBFLT3TTK
SCHEMBL8239874 0.67 AURKA (0.69) AURKAAURKBFLT3TTK

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
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