SCHEMBL4083915

SCHEMBL4083915

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1cscn1)nn2C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.37
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
MAPT P10636 3/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
MAOB P27338 1/20 0.32
GRM5 P41594 1/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PIM1 P11309 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4078532 0.87 RAB9A (0.39) RAB9ANPC1MAPTUSP2ALDH1A1
SCHEMBL4081200 0.86 MAPT (0.45) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL4091948 0.85 NPC1 (0.32) RAB9ANPC1MAPTUSP2ALDH1A1
SCHEMBL4088615 0.85 KMT2A (0.45) RAB9ANPC1MAPTUSP2ALDH1A1
SCHEMBL4084033 0.84 ELANE (0.45) NPC1ALDH1A1ADORA3MAOBGRM5
SCHEMBL4093454 0.84 JMJD6 (0.38) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL4087183 0.83 RAB9A (0.45) RAB9ANPC1MAPTUSP2ALDH1A1
SCHEMBL4088637 0.83 ALDH1A1 (0.43) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL4078418 0.82 HTT (0.43) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL4083862 0.82 TAS1R3 (0.38) RAB9ANPC1MAPTALDH1A1KMT2A

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 2 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