SCHEMBL4083257

SCHEMBL4083257

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1nccn1C)nn2C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
GRM4 Q14833 2/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RGS12 O14924 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM1 Q13255 2/20 0.30
POLB P06746 1/20 0.30
GPR35 Q9HC97 1/20 0.30
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4087253 0.84 CASP3 (0.38) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL4091948 0.83 NPC1 (0.32) JMJD6MAOBALDH1A1NPC1RAB9A
SCHEMBL4078532 0.83 RAB9A (0.39) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL4081604 0.83 ALDH1A1 (0.46) NAMPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL4093454 0.83 JMJD6 (0.38) JMJD6MAOBALDH1A1NPC1RAB9A
SCHEMBL4088615 0.83 KMT2A (0.45) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL4087974 0.82 TAS2R8 (0.35) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL4083862 0.81 TAS1R3 (0.38) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL4078418 0.81 HTT (0.43) MAOBALDH1A1NPC1RAB9AMAPT
SCHEMBL4084026 0.81 MAPT (0.42) ALDH1A1NPC1RAB9AMAPTKDM4E

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