SCHEMBL4083789

SCHEMBL4083789

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3cscn3)c2o1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
AURKA O14965 1/20 0.41
MAPK1 P28482 5/20 0.37
ADORA3 P0DMS8 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
USP36 Q9P275 1/20 0.35
PARP1 P09874 1/20 0.35
CYP2C8 P10632 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.34
PIM1 P11309 1/20 0.34
GRM4 Q14833 2/20 0.34
IMPDH2 P12268 1/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL651483 0.94 EGLN1 (0.40) EGLN1AURKAMAPK1ADORA3ANO1
SCHEMBL4086360 0.90 MAPK1 (0.47) EGLN1AURKAMAPK1ANO1ABL1
SCHEMBL4083114 0.86 AURKA (0.41) AURKAMAPK1ANO1ABL1BCR
SCHEMBL4088217 0.85 AURKA (0.51) AURKAMAPK1ABL1BCRUSP36
SCHEMBL4093027 0.84 RAB9A (0.44) AURKACYP2D6
SCHEMBL4088455 0.84 AURKA (0.47) EGLN1AURKAMAPK1ADORA3ABL1
SCHEMBL4092674 0.84 AURKA (0.43) EGLN1AURKAMAPK1ANO1ABL1
SCHEMBL4092679 0.83 AURKA (0.49) AURKAMAPK1ADORA3ABL1BCR
SCHEMBL4083886 0.83 AURKA (0.44) EGLN1AURKAMAPK1ABL1BCR
SCHEMBL2910927 0.82 GRM4 (0.39) EGLN1AURKAMAPK1CYP2C8CYP2C9

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