SCHEMBL15225692

SCHEMBL15225692

Cc1cc(Nc2ccnc(CN3C[C@@H]4CC3CN4C(=O)c3cccc(Cl)c3F)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.46
AURKB Q96GD4 15/20 0.45

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
SCHEMBL402078 1.00 AURKA (0.46) AURKAAURKB
SCHEMBL4124966 0.90 AURKA (0.48) AURKAAURKB
SCHEMBL3535817 0.89 AURKA (0.51) AURKAAURKB
SCHEMBL401815 0.80 AURKA (0.46) AURKAAURKB
SCHEMBL400511 0.80 AURKA (0.38) AURKAAURKB
SCHEMBL10172360 0.80 AURKA (0.38) AURKAAURKB
SCHEMBL3526824 0.79 AURKA (0.40) AURKAAURKB
SCHEMBL401566 0.77 PDE2A (0.37) AURKAAURKB
SCHEMBL10172355 0.77 PDE2A (0.37) AURKAAURKB
SCHEMBL399614 0.77 AURKA (0.47) AURKAAURKB

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
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed