SCHEMBL14536770

SCHEMBL14536770

Cn1cc(-c2cnc3c(Nc4cc(N)ns4)nc(C4CCNCC4)cn23)cn1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 13/20 0.69
▸ AURKA O14965 10/20 0.69
▸ CHEK1 O14757 3/20 0.55
▸ LCK P06239 3/20 0.42
▸ PTK6 Q13882 4/20 0.41
▸ CDK2 P24941 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39

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
SCHEMBL8239888 0.90 AURKA (0.70) AURKBAURKACHEK1LCKCDK2
SCHEMBL12404449 0.84 AURKB (0.64) AURKBAURKACHEK1LCKPTK6
SCHEMBL8241796 0.81 AURKB (1.00) AURKBAURKACHEK1LCKPTK6
SCHEMBL8246082 0.81 CHEK1 (0.64) AURKBAURKACHEK1LCKCDK2
SCHEMBL14529991 0.81 CHEK1 (0.64) AURKBAURKACHEK1LCKCDK2
SCHEMBL14507772 0.79 AURKA (0.66) AURKBAURKACHEK1LCKPTK6
SCHEMBL14537036 0.79 AURKB (0.60) AURKBAURKACHEK1LCKPTK6
SCHEMBL13259841 0.77 AURKA (0.50) AURKBAURKACHEK1CDK2IRAK4
SCHEMBL8241241 0.77 AURKA (0.90) AURKBAURKACHEK1LCKCDK2
SCHEMBL12404563 0.76 AURKB (0.61) AURKBAURKACHEK1CDK2RPS6KA3

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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