SCHEMBL5990192

SCHEMBL5990192

CC(C)(C)OC(=O)NCCn1c(-c2sccc2Cl)c(C#N)c2nc[nH]c(=O)c21.CC(C)(C)OC(=O)NCCn1c(-c2sccc2Cl)c(C(N)=O)c2nc[nH]c(=O)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.34
WDR77 Q9BQA1 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
DRD2 P14416 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13843439 0.95 PRMT5 (0.36) PRMT5WDR77L3MBTL1JAK2JAK1
SCHEMBL4558219 0.93 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EALDH1A1
SCHEMBL13843282 0.87 L3MBTL1 (0.36) PRMT5WDR77L3MBTL1JAK2JAK1
SCHEMBL13783374 0.85 L3MBTL1 (0.34) PRMT5WDR77L3MBTL1JAK2JAK1
SCHEMBL4558848 0.85 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EGAA
SCHEMBL13783368 0.84 L3MBTL1 (0.38) L3MBTL1JAK2JAK1KDM4EGAA
SCHEMBL13783363 0.83 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EGAA
SCHEMBL13783364 0.83 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EGAA
SCHEMBL13783618 0.82 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EALDH1A1
SCHEMBL13783382 0.82 L3MBTL1 (0.37) L3MBTL1JAK2JAK1KDM4EGAA

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-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP disclosed