SCHEMBL4078618

SCHEMBL4078618

Cc1coc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.34
GPR35 Q9HC97 5/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
GSK3B P49841 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4087457 0.82 KLK7 (0.47) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4088557 0.82 SMN1; SMN2 (0.48) CDK7KDM4EKMT2AMAPK1GPR35
SCHEMBL4086303 0.80 MAPK1 (0.49) KDM4EKMT2AMAPK1NPC1RAB9A
SCHEMBL4078720 0.79 SMN1; SMN2 (0.46) KDM4EKMT2AMAPK1NPC1RAB9A
SCHEMBL4088564 0.79 MAPT (0.48) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4081816 0.79 MAPT (0.47) KDM4EKMT2AMAPK1NPC1RAB9A
SCHEMBL4089305 0.78 NPC1 (0.42) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4083540 0.78 FGFR1 (0.50) CDK7KMT2AMAPK1GPR35HDAC6
SCHEMBL4088647 0.77 PKM (0.46) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4078664 0.76 HPGD (0.44) CDK7GPR35HDAC6NPC1RAB9A

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