SCHEMBL4093460

SCHEMBL4093460

CN1CCN(Cc2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5F)oc34)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.48
KDR P35968 2/20 0.46
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
FLT3 P36888 3/20 0.45
KIT P10721 2/20 0.45
BTK Q06187 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALK Q9UM73 6/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
AURKB Q96GD4 1/20 0.43
HDAC1 Q13547 1/20 0.42
TNIK Q9UKE5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4088412 0.94 ABL1 (0.51) AURKAKDRABL1BCRFLT3
SCHEMBL4086294 0.94 ABL1 (0.52) AURKAKDRABL1BCRFLT3
SCHEMBL4088344 0.93 RAB9A (0.46) AURKAKDRABL1BCRFLT3
SCHEMBL4082899 0.90 AURKA (0.60) AURKAABL1BCRFLT3KIT
SCHEMBL4081436 0.90 AURKA (0.57) AURKAKDRABL1BCRFLT3
SCHEMBL13850096 0.86 AURKA (0.39) AURKAABL1BCRFLT3DYRK1A
SCHEMBL4084047 0.86 AURKA (0.42) AURKANTRK1HDAC1HDAC6
SCHEMBL4081802 0.84 FLT3 (0.43) AURKAKDRABL1BCRFLT3
SCHEMBL4083868 0.84 ABL1 (0.59) AURKAKDRABL1BCRFLT3
SCHEMBL4092903 0.84 ABL1 (0.61) AURKAKDRABL1BCRFLT3

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