SCHEMBL4088196

SCHEMBL4088196

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.54
HDAC6 Q9UBN7 2/20 0.51
FLT3 P36888 6/20 0.51
KIT P10721 3/20 0.51
BTK Q06187 1/20 0.50
AURKA O14965 4/20 0.49
HDAC1 Q13547 2/20 0.48
FLT1 P17948 1/20 0.47
ALK Q9UM73 4/20 0.47
NTRK1 P04629 1/20 0.47
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
AURKB Q96GD4 1/20 0.47
IKBKE Q14164 2/20 0.45
TBK1 Q9UHD2 1/20 0.44
F10 P00742 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL4078156 0.92 KDR (0.45) KDRHDAC6FLT3KITAURKA
SCHEMBL4082914 0.92 HRH3 (0.48) KDRHDAC6FLT3KITAURKA
SCHEMBL4088588 0.91 HRH3 (0.49) KDRHDAC6FLT3KITAURKA
SCHEMBL4083450 0.90 HIF1A (0.54) FLT3AURKAHDAC1
SCHEMBL3881539 0.87 AURKA (0.60) FLT3KITAURKAALKNTRK1
SCHEMBL4081436 0.86 AURKA (0.57) KDRHDAC6FLT3KITBTK
SCHEMBL4093460 0.82 AURKA (0.48) KDRHDAC6FLT3KITBTK
SCHEMBL4084078 0.82 KIT (0.57) FLT3KITALKINSRIGF1R
SCHEMBL4092896 0.81 HDAC6 (0.51) HDAC6FLT3
SCHEMBL2914525 0.80 AURKA (0.57) FLT3KITAURKAF10

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 2 patents. 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 claimed
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