SCHEMBL4081915

SCHEMBL4081915

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5cccc(Cl)c5)oc34)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.62
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
KIT P10721 5/20 0.47
FLT3 P36888 4/20 0.47
FGFR1 P11362 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
AURKB Q96GD4 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL4086497 0.91 AURKA (0.71) AURKAABL1BCRKITFLT3
SCHEMBL653338 0.86 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL4082899 0.84 AURKA (0.60) AURKAABL1BCRKITFLT3
SCHEMBL4081182 0.84 AURKA (0.61) AURKAABL1BCRKITFLT3
SCHEMBL4088635 0.83 AURKA (0.58) AURKAKITFLT3
SCHEMBL4081436 0.83 AURKA (0.57) AURKAABL1BCRKITFLT3
SCHEMBL3881539 0.82 AURKA (0.60) AURKAKITFLT3NTRK1INSR
SCHEMBL740102 0.82 AURKA (0.65) AURKAABL1BCRKITFLT3
SCHEMBL4092679 0.81 AURKA (0.49) AURKAABL1BCRFLT3
SCHEMBL2437160 0.79 AURKA (0.55) 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