SCHEMBL3700385

SCHEMBL3700385

CC(C)(C)CN(Cc1cc(-c2cccnc2F)c(Sc2ncc[nH]2)s1)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL4132219 0.86 DYRK1A (0.33) DYRK1AFFAR4
SCHEMBL3650568 0.85 CTSD (0.32)
SCHEMBL3652579 0.85 PPARG (0.32) DYRK1AFFAR4
SCHEMBL3806866 0.85 GPBAR1 (0.30) DYRK1AFFAR4
SCHEMBL3654415 0.84 MGAM (0.33)
SCHEMBL4023653 0.83
SCHEMBL3700377 0.82 PDK2 (0.34) DYRK1AFFAR4
SCHEMBL3804241 0.82 ALDH1A1 (0.32)
SCHEMBL3690491 0.80 FFAR4 (0.32) FFAR4
SCHEMBL3700382 0.79 DYRK1A (0.35) DYRK1A

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-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed