SCHEMBL14536727

SCHEMBL14536727

CC(=N)/C=C(\O)NC(=O)NCCc1cn2c(-c3cnn(C)c3)cnc2c(Nc2cc(C)no2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.38
▸ AURKB Q96GD4 16/20 0.35
▸ AURKA O14965 13/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ TTK P33981 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ YES1 P07947 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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 0.87 PTK6 (0.40) PTK6AURKBAURKAAXLTYRO3
SCHEMBL14536799 0.79 AURKB (0.49) PTK6AURKBAURKAAXLTYRO3
SCHEMBL12471160 0.72 AURKB (0.58) AURKBAURKACHEK1LCKKDR
SCHEMBL12473591 0.69 AURKB (0.59) AURKBAURKACHEK1LCKKDR
SCHEMBL8239782 0.69 AURKA (0.65) PTK6AURKBAURKAAXLTYRO3
SCHEMBL8246885 0.65 AURKB (0.65) AURKBAURKACHEK1LCKKDR
SCHEMBL14536779 0.64 AURKB (0.44) PTK6AURKBAURKACHEK1LCK
SCHEMBL14507591 0.64 ANPEP (0.41) PTK6AURKBAURKATTKNTRK1
SCHEMBL12404465 0.63 AURKA (0.67) AURKBAURKACHEK1LCKKDR
SCHEMBL14536767 0.63 TTK (0.40) PTK6AURKBAURKACHEK1TTK

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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