SCHEMBL13638779

SCHEMBL13638779

COC[C@H]1CCCN1c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
IDH1 O75874 2/20 0.38
ADORA2A P29274 6/20 0.38
ADORA1 P30542 6/20 0.38
GPR6 P46095 1/20 0.37
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
ACACB O00763 3/20 0.36
F10 P00742 1/20 0.36
FFAR1 O14842 2/20 0.35
SYK P43405 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
SCHEMBL13638904 0.94 MAP4K1 (0.39) MAP4K1IDH1ADORA2AADORA1GPR6
SCHEMBL13634587 0.93 GPR6 (0.36) GPR6FFAR1
SCHEMBL13638990 0.92 MAP4K1 (0.38) MAP4K1IDH1ADORA2AADORA1GPR6
SCHEMBL13634681 0.88 HRH3 (0.38) GPR6FFAR1
SCHEMBL13634782 0.86 MALT1 (0.40) IDH1GPR6SYK
SCHEMBL13634843 0.85 GPR6 (0.38) GPR6FFAR1
SCHEMBL13634783 0.82 IRAK4 (0.48)
SCHEMBL13638992 0.80 IRAK4 (0.39) IDH1GPR6SYK
SCHEMBL13634898 0.79 GPR6 (0.37) GPR6
SCHEMBL13634696 0.79 GPR6 (0.38) GPR6

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed