SCHEMBL4081802

SCHEMBL4081802

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(OCCN4CCCC4)cc3)c2o1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.43
KIT P10721 7/20 0.43
KDR P35968 5/20 0.43
MCHR1 Q99705 3/20 0.43
AURKA O14965 3/20 0.43
ALK Q9UM73 2/20 0.43
FLT1 P17948 3/20 0.43
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
BRD4 O60885 1/20 0.40
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL4082984 0.90 AURKA (0.48) FLT3KITKDRMCHR1AURKA
SCHEMBL4088412 0.88 ABL1 (0.51) FLT3KITKDRAURKACLK2
SCHEMBL4086294 0.87 ABL1 (0.52) FLT3KITKDRAURKAALK
SCHEMBL4093460 0.84 AURKA (0.48) FLT3KITKDRAURKAALK
SCHEMBL4089596 0.83 FLT3 (0.49) FLT3KITKDRMCHR1AURKA
SCHEMBL4084047 0.83 AURKA (0.42) AURKAHDAC1
SCHEMBL4088344 0.82 RAB9A (0.46) FLT3KDRAURKAHDAC1ABL1
SCHEMBL4082899 0.82 AURKA (0.60) FLT3KITAURKAALKABL1
SCHEMBL13850096 0.81 AURKA (0.39) FLT3AURKAALKCLK2DYRK1A
SCHEMBL4092903 0.78 ABL1 (0.61) FLT3KITKDRAURKAHDAC1

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