SCHEMBL21393150

SCHEMBL21393150

Cc1nnnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.36
PARP1 P09874 2/20 0.32
CSNK2A2 P19784 2/20 0.30
CSNK2A1 P68400 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
PTGS1 P23219 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
CSNK2B P67870 1/20 0.30
KMT2A Q03164 1/20 0.30
DYRK1A Q13627 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL2115829 0.74 PI4KA (0.32) PDPK1PARP1CSNK2A2CSNK2A1KDM4E
SCHEMBL22907637 0.74 HPGD (0.38) HPGD
SCHEMBL129804 0.71 PDPK1 (0.37) PDPK1PARP1CSNK2A2CSNK2A1KDM4E
SCHEMBL27285048 0.68 PDPK1 (0.57) PDPK1PARP1CSNK2A2CSNK2A1KDM4E
SCHEMBL2139275 0.68 PDPK1 (0.35) PDPK1PARP1
Ammonia Solution, Strong SCHEMBL16871771 0.68 PDPK1 (0.35) PDPK1PARP1KDM4EALDH1A1HPGD
SCHEMBL14438027 0.68 PARP1 (0.34) PDPK1PARP1MEN1KMT2A
SCHEMBL2938699 0.67 PDPK1 (0.37) PDPK1KDM4EALDH1A1HPGD
SCHEMBL4451632 0.67 XDH (0.40) PDPK1PARP1CSNK2A1KDM4EDYRK1A
SCHEMBL1193368 0.67 PDPK1 (0.34) PDPK1PARP1

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
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO disclosed