SCHEMBL14537008

SCHEMBL14537008

NNc1nccn2c(-c3cnn(N)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.46
▸ AURKB Q96GD4 5/20 0.46
▸ TTK P33981 11/20 0.39
▸ FLT3 P36888 2/20 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 0.84 TTK (0.46) AURKAAURKBTTKFLT3
SCHEMBL14530182 0.82 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL14538587 0.80 AURKA (0.44) AURKAAURKBTTKFLT3
SCHEMBL14536731 0.80 AURKA (0.49) AURKAAURKBTTKFLT3
SCHEMBL14529894 0.80 AURKA (0.42) AURKAAURKBTTKFLT3
SCHEMBL14537007 0.80 AURKA (0.48) AURKAAURKBTTK
SCHEMBL14536794 0.79 AURKA (0.48) AURKAAURKBTTKFLT3
SCHEMBL13954584 0.79 AURKA (0.53) AURKAAURKBTTKFLT3
SCHEMBL13954859 0.79 FLT3 (0.47) AURKAAURKBTTKFLT3
SCHEMBL14530017 0.79 FLT3 (0.56) 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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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