SCHEMBL14536799

SCHEMBL14536799

Cc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)on1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 14/20 0.49
▸ AURKA O14965 13/20 0.49
▸ AXL P30530 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ CHEK1 O14757 2/20 0.41
▸ PTK6 Q13882 1/20 0.39
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL12471059 0.85 PTK6 (0.40) AURKBAURKAAXLTYRO3CHEK1
SCHEMBL8247338 0.81 AURKA (0.73) AURKBAURKACHEK1CDK2IRAK4
SCHEMBL14536781 0.81 AURKA (0.46) AURKBAURKACHEK1PTK6CCNA2
SCHEMBL8239782 0.79 AURKA (0.65) AURKBAURKAAXLTYRO3CHEK1
SCHEMBL14536727 0.79 PTK6 (0.38) AURKBAURKAAXLTYRO3CHEK1
SCHEMBL14537036 0.78 AURKB (0.60) AURKBAURKACHEK1PTK6IRAK4
SCHEMBL12404630 0.78 AURKB (0.67) AURKBAURKACHEK1PTK6IRAK4
SCHEMBL12404631 0.77 AURKB (0.45) AURKBAURKACHEK1PTK6CCNA2
SCHEMBL12404629 0.77 AURKB (0.52) AURKBAURKACHEK1PTK6
SCHEMBL14507672 0.76 AURKB (0.46) AURKBAURKAAXLCHEK1PTK6

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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