SCHEMBL4086497

SCHEMBL4086497

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5)oc34)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.71
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60
KIT P10721 6/20 0.54
FLT3 P36888 5/20 0.54

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
SCHEMBL653338 0.95 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL4081182 0.92 AURKA (0.61) AURKAABL1BCRKITFLT3
SCHEMBL4081915 0.91 AURKA (0.62) AURKAABL1BCRKITFLT3
SCHEMBL4088635 0.90 AURKA (0.58) AURKAKITFLT3
SCHEMBL4082899 0.90 AURKA (0.60) AURKAABL1BCRKITFLT3
SCHEMBL4081436 0.89 AURKA (0.57) AURKAABL1BCRKITFLT3
SCHEMBL4088217 0.87 AURKA (0.51) AURKAABL1BCR
SCHEMBL3881539 0.86 AURKA (0.60) AURKAKITFLT3
SCHEMBL4081942 0.85 KIT (0.54) AURKAABL1BCRKITFLT3
SCHEMBL650431 0.85 AURKA (0.54) AURKAABL1BCRKITFLT3

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed