SCHEMBL6506836

SCHEMBL6506836

Cc1cccc(-c2ccnc(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.58
KMO O15229 1/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 2/20 0.42
MAP4K4 O95819 1/20 0.41
NPC1 O15118 1/20 0.41
CYP19A1 P11511 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4027001 0.81 IDO1 (0.55) KMOADORA2AADORA1IDO1MAP4K4
SCHEMBL4402505 0.80 CCR1 (0.58) MAPK14KMONISCHIDO1RAB9A
SCHEMBL14770762 0.80 IDO1 (0.44) MAPK14IDO1
SCHEMBL11992043 0.80 UHRF1 (0.58) MAPK14KMONISCHRAB9AMAP4K4
SCHEMBL2329610 0.79 ADORA2A (0.56) ADORA2AADORA1IDO1CYP19A1
SCHEMBL29461217 0.79 ADORA2A (0.56) ADORA2AADORA1IDO1CYP19A1
SCHEMBL5788570 0.79 MAPK14 (0.53) MAPK14ADORA2AADORA1RAB9ANPC1
SCHEMBL25070215 0.78 ADORA2A (0.54) ADORA2AADORA1IDO1CYP19A1
SCHEMBL14154863 0.77 BIRC5 (0.45) MAPK14ADORA2AADORA1IDO1RAB9A
SCHEMBL31337817 0.77 SRC (0.48) MAPK14ADORA2AADORA1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed