SCHEMBL4081436

SCHEMBL4081436

CN1CCN(Cc2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5)oc34)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.57
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
FLT3 P36888 5/20 0.48
KIT P10721 3/20 0.48
KDR P35968 4/20 0.48
HDAC1 Q13547 1/20 0.46
BTK Q06187 1/20 0.45
ACKR3 P25106 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
FLT1 P17948 1/20 0.43
ALK Q9UM73 2/20 0.43
TNIK Q9UKE5 1/20 0.43
FGFR1 P11362 1/20 0.43
DDR2 Q16832 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
SCHEMBL4092903 0.94 ABL1 (0.61) AURKAABL1BCRFLT3KIT
SCHEMBL4083868 0.94 ABL1 (0.59) AURKAABL1BCRFLT3KIT
SCHEMBL4093502 0.93 ABL1 (0.63) AURKAABL1BCRFLT3KIT
SCHEMBL4081465 0.93 ABL1 (0.54) AURKAABL1BCRFLT3KDR
SCHEMBL4093460 0.90 AURKA (0.48) AURKAABL1BCRFLT3KIT
SCHEMBL4086497 0.89 AURKA (0.71) AURKAABL1BCRFLT3KIT
SCHEMBL4088196 0.86 KDR (0.54) AURKAFLT3KITKDRHDAC1
SCHEMBL4088217 0.86 AURKA (0.51) AURKAABL1BCRHDAC6FGFR1
SCHEMBL4092679 0.85 AURKA (0.49) AURKAABL1BCRFLT3ACKR3
SCHEMBL4081942 0.85 KIT (0.54) AURKAABL1BCRFLT3KIT

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