SCHEMBL6656992

SCHEMBL6656992

Cn1c(=O)cc(NN=c2[nH]c(NN)cc(=O)n2C)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
YTHDF2 Q9Y5A9 1/20 0.36
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.34
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PKM P14618 2/20 0.32
BRCA1 P38398 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
THRB P10828 1/20 0.31
NR1I2 O75469 1/20 0.30
AHR P35869 1/20 0.30
CASP1 P29466 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
SCHEMBL2070591 0.84 MEN1 (0.56) SMN1; SMN2HTTMEN1KMT2ATP53
Methane SCHEMBL11401135 0.83 MEN1 (0.54) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL6656983 0.70 MEN1 (0.38) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL2632919 0.69 MEN1 (0.57) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL2072581 0.68 KDM4C (0.58) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL2072582 0.68 KDM4C (0.58) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL11243798 0.66 KMT2A (0.54) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL2625570 0.65 SMN1; SMN2 (0.65) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL16480329 0.65 SMN1; SMN2 (0.59) SMN1; SMN2HTTMEN1KMT2ATP53
SCHEMBL22521954 0.63 SMN1; SMN2 (0.64) SMN1; SMN2HTTMEN1KMT2ATP53

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-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed