SCHEMBL20769722

SCHEMBL20769722

COC(=O)C(=O)c1c[nH]c2nc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
MAP2K1 Q02750 1/20 0.41
NR4A2 P43354 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 1/20 0.38
ADORA1 P30542 3/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
FGFR4 P22455 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL29644283 0.85 MAP2K1 (0.57) ADORA2AMAP2K1NR4A2MEN1KMT2A
SCHEMBL26979129 0.85 MAP2K1 (0.57) ADORA2AMAP2K1NR4A2MEN1KMT2A
SCHEMBL7024233 0.81 ADORA2A (0.50) ADORA2AMAP2K1NR4A2MEN1KMT2A
SCHEMBL3554174 0.81 ADORA2A (0.56) ADORA2AMAP2K1MEN1KMT2AADORA1
SCHEMBL28089657 0.78 ADORA2A (0.48) ADORA2AMEN1KMT2AADORA1
SCHEMBL7025897 0.77 ADORA2A (0.52) ADORA2AMEN1KMT2AADORA1
SCHEMBL21588983 0.76 TUBB1 (0.60) ADORA2APIM1ROCK2ROCK1FGFR4
SCHEMBL4239387 0.76 ADORA2A (0.48) ADORA2AMAP2K1NR4A2MEN1KMT2A
SCHEMBL1940550 0.75 MAP2K1 (0.73) ADORA2AMAP2K1KMT2AROCK1CLK1
SCHEMBL7099389 0.74 ADORA2A (0.47) ADORA2AMAP2K1MEN1KMT2AADORA1

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-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed