SCHEMBL4092927

SCHEMBL4092927

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC5(c6ccccc6)CCCC5)oc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.53
KIT P10721 5/20 0.52
FLT3 P36888 4/20 0.52

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
SCHEMBL4078233 0.89 AURKA (0.54) AURKAKITFLT3
SCHEMBL4088568 0.85 CDK2 (0.40) FLT3
SCHEMBL3881539 0.84 AURKA (0.60) AURKAKITFLT3
SCHEMBL4088806 0.81 HSD17B13 (0.42) FLT3
SCHEMBL4086497 0.81 AURKA (0.71) AURKAKITFLT3
SCHEMBL18108605 0.81 KIT (0.60) AURKAKITFLT3
SCHEMBL742455 0.81 AURKA (0.55) AURKAKITFLT3
SCHEMBL2914525 0.80 AURKA (0.57) AURKAKITFLT3
SCHEMBL4092150 0.80 SMN1; SMN2 (0.40)
SCHEMBL4088635 0.79 AURKA (0.58) AURKAKITFLT3

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