SCHEMBL13625779

SCHEMBL13625779

O=C(NC1=NCC(CCNc2ncnc3oc(-c4ccccc4)c(Cl)c23)S1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 20/20 0.65
▸ AURKB Q96GD4 19/20 0.65

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
SCHEMBL13625873 0.91 AURKA (0.65) AURKAAURKB
SCHEMBL13625527 0.84 AURKA (0.45) AURKAAURKB
SCHEMBL13429833 0.83 AURKA (0.45) AURKAAURKB
SCHEMBL13625780 0.82 AURKA (0.64) AURKAAURKB
SCHEMBL13429733 0.82 ADK (0.48) AURKAAURKB
SCHEMBL759129 0.79 AURKA (1.00) AURKAAURKB
SCHEMBL13430256 0.79 ADK (0.43) AURKAAURKB
SCHEMBL759962 0.77 AURKA (0.76) AURKAAURKB
SCHEMBL13430270 0.76 KDR (0.40) AURKAAURKB
SCHEMBL13430258 0.76 ADK (0.43) AURKAAURKB

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-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 — — WO disclosed
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