SCHEMBL4082899

SCHEMBL4082899

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5F)oc34)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.60
NTRK1 P04629 2/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
AURKB Q96GD4 1/20 0.51
ALK Q9UM73 1/20 0.51
KIT P10721 5/20 0.50
FLT3 P36888 4/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50

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
SCHEMBL4093460 0.90 AURKA (0.48) AURKANTRK1INSRIGF1RAURKB
SCHEMBL4086497 0.90 AURKA (0.71) AURKAKITFLT3ABL1BCR
SCHEMBL653322 0.89 ALK (0.54) AURKANTRK1INSRIGF1RAURKB
SCHEMBL654874 0.87 AURKA (0.46) AURKANTRK1INSRIGF1RAURKB
SCHEMBL4084047 0.86 AURKA (0.42) AURKANTRK1
SCHEMBL653338 0.85 AURKA (0.65) AURKAKITFLT3ABL1BCR
SCHEMBL4088344 0.84 RAB9A (0.46) AURKAFLT3ABL1BCR
SCHEMBL4081915 0.84 AURKA (0.62) AURKANTRK1INSRIGF1RAURKB
SCHEMBL4088412 0.84 ABL1 (0.51) AURKANTRK1INSRAURKBKIT
SCHEMBL4086294 0.83 ABL1 (0.52) AURKANTRK1INSRIGF1RAURKB

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