SCHEMBL14536781

SCHEMBL14536781

CNc1nc(CCN)cn2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.46
▸ AURKB Q96GD4 6/20 0.46
▸ FYN P06241 4/20 0.41
▸ CHEK1 O14757 4/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ PTK6 Q13882 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FGFR3 P22607 1/20 0.34

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
SCHEMBL12404631 0.82 AURKB (0.45) AURKAAURKBFYNCHEK1CCNA2
SCHEMBL12404629 0.82 AURKB (0.52) AURKAAURKBCHEK1PTK6
SCHEMBL14536799 0.81 AURKB (0.49) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL14537036 0.81 AURKB (0.60) AURKAAURKBCHEK1PTK6IRAK4
SCHEMBL8247338 0.81 AURKA (0.73) AURKAAURKBCHEK1CDK2IRAK4
SCHEMBL14536793 0.80 CHEK1 (0.39) AURKAAURKBFYNCHEK1CCNA2
SCHEMBL14507675 0.80 AURKB (0.48) AURKAAURKBCHEK1CCNA2CDK2
SCHEMBL14507672 0.80 AURKB (0.46) AURKAAURKBFYNCHEK1CCNA2
SCHEMBL12404638 0.79 AURKB (0.49) AURKAAURKBCHEK1PTK6
SCHEMBL12404627 0.79 AURKB (0.58) AURKAAURKBCHEK1PTK6IRAK4

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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