SCHEMBL14529968

SCHEMBL14529968

c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(OCC2CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.49
▸ AURKB Q96GD4 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ CHRNB4 P30926 2/20 0.44
▸ CHRNA3 P32297 2/20 0.44
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ CHRND Q07001 1/20 0.44
▸ LCK P06239 1/20 0.42
▸ TTK P33981 1/20 0.41
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL8241160 0.87 AURKA (0.49) AURKBAURKACHRNB4CHRNA3CHRNB2
SCHEMBL13954745 0.86 PTK6 (0.48) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14536944 0.85 CHRNB4 (0.42) AURKBAURKACHRNB4CHRNA3CHRNB2
SCHEMBL14538461 0.79 PTK6 (0.48) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL10169406 0.77 MAPKAPK5 (0.57) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL30138985 0.76 MAPKAPK5 (0.62) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL8246047 0.74 FYN (0.52) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14536960 0.74 MAPKAPK5 (0.62) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL14538354 0.73 PTK6 (0.52) PTK6AURKBAURKAMAPKAPK5LCK
SCHEMBL13954946 0.73 PTK6 (0.53) PTK6AURKBAURKAMAPKAPK5LCK

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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