SCHEMBL4091948

SCHEMBL4091948

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1cn(C)cn1)nn2C(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CDK9 P50750 1/20 0.32
LMNA P02545 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
L3MBTL1 Q9Y468 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 0.85 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4083915 0.85 MAP3K5 (0.37) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4093454 0.85 JMJD6 (0.38) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4088615 0.85 KMT2A (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4087974 0.84 TAS2R8 (0.35) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4081200 0.84 MAPT (0.45) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4083257 0.83 NAMPT (0.34) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4088637 0.83 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4078418 0.82 HTT (0.43) NPC1RAB9ASMN1; SMN2MAPTMAOB
SCHEMBL4083862 0.82 TAS1R3 (0.38) NPC1RAB9ASMN1; SMN2MAPTMAOB

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