SCHEMBL4083484

SCHEMBL4083484

O=C(O)c1cc2[nH]nc(NC(=O)c3cccs3)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPK1 P28482 3/20 0.51
KMT2A Q03164 9/20 0.43
MEN1 O00255 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAPDH P04406 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 3/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL2913843 0.92 KMT2A (0.48) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL13850061 0.83 AURKA (0.46) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4088328 0.83 MAPK1 (0.41) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4083540 0.83 FGFR1 (0.50) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL4086290 0.81 MAPT (0.40) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4092150 0.81 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4088272 0.81 ALDH1A1 (0.40) SMN1; SMN2MAPK1ALDH1A1MAPTLMNA
SCHEMBL4082088 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4083197 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1KMT2AMEN1NPC1
SCHEMBL4086374 0.80 HPGD (0.43) SMN1; SMN2MAPK1KMT2AMEN1NPC1

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 3 patents. 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 claimed
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
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