SCHEMBL14538358

SCHEMBL14538358

c1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc(N2CCNCC2)n1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.75
▸ AURKB Q96GD4 11/20 0.75
▸ LCK P06239 8/20 0.75
▸ MAPKAPK5 Q8IW41 1/20 0.56
▸ AURKA O14965 2/20 0.54
▸ ROCK2 O75116 1/20 0.43

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
SCHEMBL14538620 0.88 PTK6 (0.59) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL8239898 0.84 AURKB (0.59) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL14387555 0.84 MAPKAPK5 (0.65) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL13954861 0.83 AURKB (0.56) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL14387502 0.81 MAPKAPK5 (0.62) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL14536960 0.79 MAPKAPK5 (0.62) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL13954946 0.78 PTK6 (0.53) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL13954945 0.78 PTK6 (0.53) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL30138985 0.77 MAPKAPK5 (0.62) PTK6AURKBLCKMAPKAPK5AURKA
SCHEMBL14537083 0.76 PTK6 (0.56) PTK6AURKBLCKMAPKAPK5AURKA

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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
Send feedback