SCHEMBL2410567

SCHEMBL2410567

CC(C)(C)CN(Cc1c[nH]c(-c2cccnc2C#N)c1F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
CTSK P43235 2/20 0.33
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL1830980 0.88 NAPRT (0.33)
SCHEMBL5006157 0.86 PLCG1 (0.34) PLCG1SLC22A12
SCHEMBL2416412 0.85 DHODH (0.32)
SCHEMBL2408759 0.84 DHODH (0.33)
SCHEMBL2410739 0.80 PLCG1 (0.37) PLCG1
SCHEMBL2411262 0.79 PLCG1 (0.35) PLCG1CTSKSLC22A12
SCHEMBL2410603 0.76 HTR6 (0.33) PLCG1CTSK
SCHEMBL2410565 0.76 PLCG1 (0.36) PLCG1CTSK
SCHEMBL5006162 0.74 MTNR1A (0.41) PLCG1
SCHEMBL2408012 0.73 PTGDR2 (0.31) PLCG1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed