SCHEMBL8720043

SCHEMBL8720043

Nc1nc[nH]c2nc(=O)c(-c3ccccc3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XDH P47989 6/20 0.39
ATR Q13535 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL5612935 0.74 GDA (0.34) KDM4EGAAMAPTGLA
SCHEMBL8721175 0.72 CYP1A2 (0.45) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL5612970 0.67 GDA (0.36) KDM4EGAAALDH1A1GLA
SCHEMBL13946583 0.67 KDM4E (0.54) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL4814372 0.67 ADORA2A (0.51) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL21121885 0.66 GDA (0.34) XDH
SCHEMBL544140 0.65 KDM4E (0.61) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL7322860 0.65 DCUN1D1 (0.56) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL20961746 0.65 ATR (0.58) ATR
Hydrochloric Acid SCHEMBL8125780 0.65 ADORA2A (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed