SCHEMBL13612028

SCHEMBL13612028

CC1=NC2=NC(C(=O)Nc3ccccc3Cl)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CHRM3 P20309 1/20 0.34
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
KIF11 P52732 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL13612023 0.91 ALDH1A1 (0.38) MEN1KMT2ADPP4DPP8ALDH1A1
SCHEMBL13611767 0.84 TDP1 (0.38) DPP4DPP8ALDH1A1EPHX2
SCHEMBL13612035 0.83 MAPT (0.41) MEN1POLBKMT2ADPP4MAPT
SCHEMBL13612049 0.82 ANO1 (0.40) MEN1KMT2ADPP4DPP8ALDH1A1
SCHEMBL13611902 0.82 DPP4 (0.46) DPP4DPP8EPHX2
SCHEMBL13612014 0.81 MAPT (0.40) MEN1POLBKMT2ADPP4DPP8
SCHEMBL13612016 0.81 DPP4 (0.44) MEN1KMT2ADPP4DPP8
SCHEMBL13612038 0.79 KMT2A (0.41) MEN1POLBKMT2ADPP4ALDH1A1
SCHEMBL13612007 0.78 DPP4 (0.35) DPP4DPP8
SCHEMBL13611869 0.77 DPP4 (0.36) DPP4DPP8MAPTKDM4E

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