SCHEMBL14529931

SCHEMBL14529931

FCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 19/20 0.68
▸ AURKA O14965 18/20 0.68
▸ CHEK1 O14757 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40

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 0.87 AURKB (0.88) AURKBAURKACHEK1LCK
SCHEMBL8241796 0.81 AURKB (1.00) AURKBAURKACHEK1LCK
SCHEMBL12404514 0.78 AURKB (0.71) AURKBAURKACHEK1LCKKDR
SCHEMBL8241241 0.78 AURKA (0.90) AURKBAURKACHEK1LCK
SCHEMBL12404511 0.77 AURKA (1.00) AURKBAURKACHEK1IRAK4
SCHEMBL8247165 0.77 AURKA (0.74) AURKBAURKACHEK1LCKKDR
SCHEMBL8241235 0.76 AURKA (0.81) AURKBAURKACHEK1
SCHEMBL14538376 0.76 AURKB (0.74) AURKBAURKACHEK1LCKKDR
SCHEMBL12404507 0.75 AURKA (0.81) AURKBAURKACHEK1LCKKDR
SCHEMBL12404510 0.75 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-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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