SCHEMBL14536728

SCHEMBL14536728

CC(=O)C(=C=O)N1CCC(c2cc(Nc3nc(CCN)cn4c(-c5cnn(C)c5)cnc34)sn2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 18/20 0.49
▸ AURKA O14965 16/20 0.49
▸ CHEK1 O14757 3/20 0.41
▸ LCK P06239 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL12404635 0.84 AURKB (0.65) AURKBAURKACHEK1LCKKDR
SCHEMBL14537036 0.78 AURKB (0.60) AURKBAURKACHEK1LCKKDR
SCHEMBL8247338 0.78 AURKA (0.73) AURKBAURKACHEK1LCKKDR
SCHEMBL12404508 0.76 AURKA (0.71) AURKBAURKACHEK1LCKKDR
SCHEMBL12404627 0.75 AURKB (0.58) AURKBAURKACHEK1LCKKDR
SCHEMBL12404630 0.75 AURKB (0.67) AURKBAURKACHEK1LCKKDR
SCHEMBL14538650 0.75 AURKA (0.72) AURKBAURKACHEK1LCKKDR
SCHEMBL14538376 0.75 AURKB (0.74) AURKBAURKACHEK1LCKKDR
SCHEMBL12404477 0.75 AURKA (0.66) AURKBAURKACHEK1LCKKDR
SCHEMBL12404510 0.74 AURKA (0.67) AURKBAURKACHEK1LCKKDR

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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