SCHEMBL17397805

SCHEMBL17397805

Cc1n[nH]c(S)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
POLB P06746 3/20 0.37
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DYRK1A Q13627 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
SCHEMBL15777023 0.78 PDE4D (0.57) PDE4DPOLBCSNK2A2KDRCSNK2B
SCHEMBL1923447 0.77 GAA (0.43) PDE4DPOLBCSNK2A2KDRCSNK2B
SCHEMBL11201220 0.76 PDE4D (0.46) PDE4DPOLBCSNK2A2KDRCSNK2B
SCHEMBL9120504 0.73 PDE4D (0.71) PDE4DPOLBLMNAKMT2A
SCHEMBL30120920 0.72 PDE4D (0.42) PDE4DPOLBCSNK2A2KDRCSNK2B
SCHEMBL28875154 0.71 PDE4D (0.41) PDE4DPOLBLMNAL3MBTL1
Sulfuric Acid SCHEMBL31278552 0.71 GAA (0.39) PDE4DPOLB
SCHEMBL8597031 0.65 DYRK1A (0.42) PDE4DCSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL13638870 0.64 POLB (0.38) POLBLMNAMEN1KMT2A
SCHEMBL20795351 0.64 CSNK2A2 (0.43) PDE4DPOLBCSNK2A2KDRCSNK2B

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-3164406-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-05-10 EP disclosed
WO-2016003929-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-01-07 WO disclosed