SCHEMBL416757

SCHEMBL416757

CCCCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 4/20 0.54
RET P07949 4/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 5/20 0.47
TP53 P04637 1/20 0.47
ADORA1 P30542 5/20 0.46
STAT6 P42226 2/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL4206914 0.76 MAPT (0.54) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL13913779 0.75 RET (0.71) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL11923106 0.75 ALDH1A1 (0.64) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL6265005 0.75 TLR8 (0.64) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL13913676 0.75 RET (0.78) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL19734665 0.74 HPGD (0.51) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL7021742 0.74 ADORA1 (0.61) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL13913706 0.71 RET (0.71) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL13914102 0.71 RET (0.71) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL11923107 0.71 KDM4E (0.74) HPGDKDM4EALDH1A1MAPTMEN1

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-2235011-B1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Pharma AG (DE) 2012-01-25 EP disclosed