SCHEMBL695375

SCHEMBL695375

O=C(O)c1ccc2c(cnc3cn[nH]c32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
PTPN1 P18031 1/20 0.40
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 3/20 0.38
DYRK1A Q13627 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
CSNK2A2 P19784 6/20 0.36
CSNK2B P67870 6/20 0.36
CSNK2A1 P68400 4/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3813061 0.80 PTPN1 (0.46) PTPN1METAP2KDM4EDYRK1ARECQL
SCHEMBL30729983 0.79 TDP1 (0.41) MGAMMETAP2KDM4ENPC1RAB9A
SCHEMBL4995210 0.75 PARP1 (0.51) PTPN1METAP2KDM4ERECQLMEN1
SCHEMBL698486 0.72 MGAM (0.42) MGAMPTPN1KDM4ERECQLTDP1
SCHEMBL694559 0.71 KDM4E (0.53) METAP2KDM4ERECQLNPC1RAB9A
SCHEMBL30270547 0.69 CTNNB1 (0.65) METAP2KDM4EDYRK1ANPC1RAB9A
SCHEMBL261380 0.69 CTNNB1 (0.65) METAP2KDM4EDYRK1ANPC1RAB9A
SCHEMBL17204225 0.69 KDM4E (0.39) MGAMKDM4EDYRK1ARECQLNPC1
SCHEMBL10465639 0.69 MGAM (0.70) MGAMKDM4ENPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL1665151 0.68 CTNNB1 (0.63) METAP2KDM4EDYRK1ANPC1RAB9A

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-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed