SCHEMBL13612035

SCHEMBL13612035

CC1=NC2=NC(C(=O)NCc3cccc(Cl)c3)CN2C(c2ccc(Cl)cc2Cl)=C1CN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.40
P2RX7 Q99572 1/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
VHL P40337 1/20 0.37
CNR1 P21554 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.35
CFD P00746 1/20 0.35

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
SCHEMBL13611767 0.88 TDP1 (0.38) CNR1DPP4
SCHEMBL13612049 0.85 ANO1 (0.40) MAPTKMT2AMEN1DPP4LMNA
SCHEMBL13612028 0.83 MEN1 (0.36) MAPTPOLBTP53KMT2AMEN1
SCHEMBL13611902 0.80 DPP4 (0.46) CNR1DPP4CNR2
SCHEMBL13612014 0.80 MAPT (0.40) MAPTPOLBCNR1KMT2AMEN1
SCHEMBL13612023 0.80 ALDH1A1 (0.38) MAPTTP53KMT2AMEN1DPP4
SCHEMBL13612016 0.79 DPP4 (0.44) CNR1KMT2AMEN1DPP4CNR2
SCHEMBL13611869 0.76 DPP4 (0.36) MAPTDPP4
SCHEMBL13612018 0.74 DPP4 (0.50) CNR1DPP4CNR2
SCHEMBL13612007 0.73 DPP4 (0.35) DPP4

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