SCHEMBL20141429

SCHEMBL20141429

O=C(O)N1CCn2nc(-c3ccccc3)nc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
GRM5 P41594 2/20 0.45
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
ADORA3 P0DMS8 6/20 0.42
ADORA1 P30542 5/20 0.42
TSHR P16473 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR3 P29371 1/20 0.37

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
SCHEMBL20140942 0.82 CKS1B (0.49) DPP4DPP8DPP7ADORA3ADORA1
SCHEMBL19664897 0.82 DPP4 (0.47) DPP4DPP8DPP7GRM5TACR3
SCHEMBL13677263 0.77 HRH4 (0.47) DPP4DPP8DPP7NR1H2NR1H3
SCHEMBL13676974 0.73 OGA (0.45) DPP4DPP8DPP7NR1H2NR1H3
SCHEMBL25410612 0.73 DPP4 (0.32) DPP4DPP8DPP7TSHR
SCHEMBL22092728 0.73 DPP4 (0.32) DPP4DPP8DPP7TSHR
SCHEMBL19664902 0.73 DPP4 (0.32) DPP4DPP8DPP7TSHR
SCHEMBL16003887 0.72 PDE10A (0.45) NR1H2NR1H3TSHRPDE10AMEN1
SCHEMBL20140943 0.72 ADORA3 (0.40) DPP4DPP8DPP7NR1H2NR1H3
SCHEMBL14520436 0.71 NR1H3 (0.43) DPP4DPP8DPP7NR1H2NR1H3

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed