SCHEMBL14538376

SCHEMBL14538376

CC(=C=O)N1CCC(c2cc(Nc3nccn4c(-c5cnn(C)c5)cnc34)sn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 16/20 0.74
▸ AURKA O14965 15/20 0.74
▸ CHEK1 O14757 2/20 0.43
▸ MAP3K12 Q12852 1/20 0.36
▸ TTK P33981 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL8240362 0.88 AURKB (0.88) AURKBAURKACHEK1TTKLCK
SCHEMBL14538650 0.87 AURKA (0.72) AURKBAURKACHEK1LCKKDR
SCHEMBL12404514 0.87 AURKB (0.71) AURKBAURKACHEK1LCKKDR
SCHEMBL12404508 0.86 AURKA (0.71) AURKBAURKACHEK1LCKKDR
SCHEMBL8246690 0.86 AURKA (0.70) AURKBAURKACHEK1TTK
SCHEMBL12404511 0.85 AURKA (1.00) AURKBAURKACHEK1IRAK4
SCHEMBL8241796 0.84 AURKB (1.00) AURKBAURKACHEK1LCK
SCHEMBL12404510 0.84 AURKA (0.67) AURKBAURKACHEK1LCKKDR
SCHEMBL14507329 0.83 AURKA (0.66) AURKBAURKACHEK1LCKKDR
SCHEMBL12404517 0.83 AURKA (0.68) 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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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