SCHEMBL13625873

SCHEMBL13625873

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 15/20 0.65
▸ CHEK1 O14757 2/20 0.54
▸ MAP2K1 Q02750 1/20 0.54
▸ AURKB Q96GD4 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ EGFR P00533 2/20 0.50
▸ RAD52 P43351 1/20 0.50

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
SCHEMBL13625779 0.91 AURKA (0.65) AURKAAURKB
SCHEMBL13625527 0.85 AURKA (0.45) AURKAAURKB
SCHEMBL13429733 0.83 ADK (0.48) AURKAAURKB
SCHEMBL13625780 0.83 AURKA (0.64) AURKAAURKBEGFR
SCHEMBL735226 0.79 AURKA (1.00) AURKAAURKB
SCHEMBL759339 0.77 AURKA (0.89) AURKAAURKB
SCHEMBL759855 0.77 AURKA (0.75) AURKACHEK1MAP2K1AURKB
SCHEMBL13430270 0.77 KDR (0.40) AURKAAURKB
SCHEMBL759086 0.77 AURKA (0.84) AURKAAURKB
SCHEMBL13429833 0.76 AURKA (0.45) 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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