SCHEMBL14536833

SCHEMBL14536833

Nn1cc(-c2cnc3c(Nc4ccc(-n5cncn5)cc4)nccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.48
▸ MAPKAPK5 Q8IW41 10/20 0.41
▸ AURKB Q96GD4 4/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL8246796 0.88 AURKA (0.62) AURKAMAPKAPK5AURKBMAPK10SYK
SCHEMBL14530182 0.84 AURKA (0.53) AURKAMAPKAPK5AURKBTTKFYN
SCHEMBL14537077 0.82 MAPKAPK5 (0.60) AURKAMAPKAPK5AURKBMAPK10TTK
SCHEMBL14536959 0.82 TTK (0.54) AURKAMAPKAPK5AURKBTTKFYN
SCHEMBL14536795 0.80 MAPKAPK5 (0.54) AURKAMAPKAPK5AURKBFYN
SCHEMBL14537007 0.79 AURKA (0.48) AURKAMAPKAPK5AURKBTTK
SCHEMBL14530020 0.79 AURKA (0.62) AURKAMAPKAPK5AURKBTTK
SCHEMBL4400143 0.78 MAPKAPK5 (0.67) MAPKAPK5SYKTTKFYN
SCHEMBL14537040 0.77 AURKA (0.48) AURKAMAPKAPK5AURKBTTKFYN
SCHEMBL13954838 0.76 AURKA (0.45) AURKAMAPKAPK5AURKBTTK

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
Send feedback