SCHEMBL13611869

SCHEMBL13611869

CC1=NC2=NC(C(=O)N3CCSC3)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.36
DPP8 Q6V1X1 9/20 0.36
DPP9 Q86TI2 7/20 0.33
DPP7 Q9UHL4 1/20 0.32
SHMT1 P34896 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL13612016 0.89 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL13612018 0.81 DPP4 (0.50) DPP4DPP8DPP9
SCHEMBL13612014 0.81 MAPT (0.40) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL13612029 0.79 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL13611879 0.79 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL13612028 0.77 MEN1 (0.36) DPP4DPP8KDM4EMAPT
SCHEMBL13611902 0.76 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL13612035 0.76 MAPT (0.41) DPP4MAPT
SCHEMBL13611767 0.75 TDP1 (0.38) DPP4DPP8DPP9
SCHEMBL13612023 0.74 ALDH1A1 (0.38) DPP4DPP8DPP9KDM4EMAPT

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
US-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed