SCHEMBL6236095

SCHEMBL6236095

CC1CN(C(=O)OC(C)(C)C)CCN1c1nc(Cl)nc(NC2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
EPHX1 P07099 1/20 0.42
ALOX5 P09917 1/20 0.42
PDE4A P27815 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL6236229 0.86 GPR119 (0.50) GPR119EPHX1
SCHEMBL6240664 0.85 ALOX5 (0.49) GPR119EPHX1ALOX5PDE4ANPC1
SCHEMBL10156216 0.78 IDH1 (0.52) EPHX1NPC1ALDH1A1MAPTMAPK1
SCHEMBL12197154 0.74 IDH1 (0.47) EPHX1NPC1ALDH1A1MAPTMAPK1
SCHEMBL25650188 0.72 GPR119 (0.45) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL24851282 0.72 GPR119 (0.47) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL30162002 0.72 GPR119 (0.47) GPR119SMARCA2SMARCA4PBRM1ABCB1
SCHEMBL1409412 0.72 ADORA2A (0.37) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL3778056 0.72 ALDH1A1 (0.54) GPR119EPHX1NPC1ALDH1A1MAPT
SCHEMBL30605602 0.72 USP30 (0.50) EPHX1NPC1ALDH1A1MAPTMAPK1

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-2005011703-A1 2-CYANO-1,3,5-TRIAZINE-4,6-DIAMINE DERIVATIVES AKZO NOBEL N.V. (NL) 2005-02-10 WO disclosed