SCHEMBL4086360

SCHEMBL4086360

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccccn3)c2o1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
AURKA O14965 1/20 0.42
EGLN1 Q9GZT9 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
USP36 Q9P275 1/20 0.36
FLT3 P36888 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4083789 0.90 EGLN1 (0.42) MAPK1AURKAEGLN1ANO1ABL1
SCHEMBL4083114 0.89 AURKA (0.41) MAPK1AURKAANO1ABL1BCR
SCHEMBL4088217 0.88 AURKA (0.51) MAPK1AURKAABL1BCRUSP36
SCHEMBL4093027 0.87 RAB9A (0.44) AURKANPC1RAB9ASMN1; SMN2
SCHEMBL4092674 0.86 AURKA (0.43) MAPK1AURKAEGLN1ANO1ABL1
SCHEMBL4092679 0.85 AURKA (0.49) MAPK1AURKAABL1BCRUSP36
SCHEMBL4083886 0.85 AURKA (0.44) MAPK1AURKAEGLN1ABL1BCR
SCHEMBL4088455 0.85 AURKA (0.47) MAPK1AURKAEGLN1ABL1BCR
SCHEMBL4078785 0.84 AURKA (0.42) MAPK1AURKAABL1BCRNPC1
SCHEMBL4088406 0.84 ALDH1A1 (0.47) MAPK1AURKAEGLN1ABL1BCR

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