SCHEMBL14530182

SCHEMBL14530182

Nn1cc(-c2cnc3c(Nc4ccncc4)nccn23)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 7/20 0.53
▸ AURKB Q96GD4 6/20 0.46
▸ TTK P33981 2/20 0.44
▸ MAPKAPK5 Q8IW41 9/20 0.40
▸ FYN P06241 1/20 0.37
▸ FLT3 P36888 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
SCHEMBL14536959 0.91 TTK (0.54) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14537007 0.87 AURKA (0.48) AURKAAURKBTTKMAPKAPK5
SCHEMBL8247167 0.86 AURKA (0.69) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14530020 0.85 AURKA (0.62) AURKAAURKBTTKMAPKAPK5
SCHEMBL14536833 0.84 AURKA (0.48) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14537040 0.82 AURKA (0.48) AURKAAURKBTTKMAPKAPK5FYN
SCHEMBL14537008 0.82 AURKA (0.46) AURKAAURKBTTKFLT3
SCHEMBL13954838 0.82 AURKA (0.45) AURKAAURKBTTKMAPKAPK5
SCHEMBL13954584 0.82 AURKA (0.53) AURKAAURKBTTKMAPKAPK5FLT3
SCHEMBL14538587 0.81 AURKA (0.44) AURKAAURKBTTKFLT3

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 2 patents. 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
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
Send feedback