SCHEMBL4084047

SCHEMBL4084047

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccc3)c2o1)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR3 P22607 2/20 0.40
NTRK1 P04629 6/20 0.39
CDK7 P50613 6/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13850096 0.91 AURKA (0.39) AURKAHDAC6FGFR1FGFR2FGFR3
SCHEMBL4082088 0.89 SMN1; SMN2 (0.41) HTT
SCHEMBL4088217 0.88 AURKA (0.51) AURKAHDAC6FGFR1FGFR2FGFR3
SCHEMBL4091695 0.88 MAPK1 (0.45)
SCHEMBL653335 0.87 FADS1 (0.36) AURKAHDAC6HDAC3HDAC1HDAC2
SCHEMBL4088412 0.86 ABL1 (0.51) AURKAFGFR1NTRK1
SCHEMBL4082899 0.86 AURKA (0.60) AURKANTRK1
SCHEMBL653354 0.86 RXFP1 (0.38)
SCHEMBL4086294 0.86 ABL1 (0.52) AURKAFGFR1NTRK1
SCHEMBL4093460 0.86 AURKA (0.48) AURKAHDAC6NTRK1HDAC1

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