SCHEMBL13612014

SCHEMBL13612014

CCOC(=O)C1CN2C(=N1)N=C(C)C(CN)=C2c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 2/20 0.38
TSHR P16473 5/20 0.38
CNR1 P21554 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 0.84 DPP4 (0.44) DPP4DPP8DPP9CNR1NPC1
SCHEMBL13612028 0.81 MEN1 (0.36) MAPTKDM4EDPP4DPP8POLB
SCHEMBL13611869 0.81 DPP4 (0.36) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL13611902 0.80 DPP4 (0.46) DPP4DPP8DPP9CNR1NPC1
SCHEMBL13612035 0.80 MAPT (0.41) MAPTDPP4CNR1POLBMEN1
SCHEMBL13612023 0.80 ALDH1A1 (0.38) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL13611767 0.80 TDP1 (0.38) DPP4DPP8DPP9CNR1RAB9A
SCHEMBL13612029 0.79 DPP4 (0.48) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL13612049 0.79 ANO1 (0.40) MAPTDPP4DPP8DPP9TSHR
SCHEMBL13612018 0.77 DPP4 (0.50) DPP4DPP8DPP9CNR1

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