SCHEMBL14537036

SCHEMBL14537036

Cn1cc(-c2cnc3c(Nc4cc(N)ns4)nc(CCN)cn23)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 18/20 0.60
▸ AURKA O14965 10/20 0.60
▸ CHEK1 O14757 2/20 0.50
▸ LCK P06239 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL8247338 0.91 AURKA (0.73) AURKBAURKACHEK1LCKKDR
SCHEMBL12404627 0.88 AURKB (0.58) AURKBAURKACHEK1LCKKDR
SCHEMBL12404630 0.88 AURKB (0.67) AURKBAURKACHEK1LCKKDR
SCHEMBL12404477 0.85 AURKA (0.66) AURKBAURKACHEK1LCKKDR
SCHEMBL12404629 0.84 AURKB (0.52) AURKBAURKACHEK1LCKRPS6KA3
SCHEMBL12404465 0.82 AURKA (0.67) AURKBAURKACHEK1LCKKDR
SCHEMBL12404638 0.81 AURKB (0.49) AURKBAURKACHEK1LCKPTK6
SCHEMBL14536781 0.81 AURKA (0.46) AURKBAURKACHEK1PTK6IRAK4
SCHEMBL8246885 0.81 AURKB (0.65) AURKBAURKACHEK1LCKKDR
SCHEMBL12404635 0.80 AURKB (0.65) 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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