SCHEMBL13638904

SCHEMBL13638904

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

nearest known ligand 0.39

Predicted protein targets (top 12)

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
HRH3 Q9Y5N1 2/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ACACB O00763 3/20 0.36
F10 P00742 1/20 0.36
SYK P43405 1/20 0.35
GPR6 P46095 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
SCHEMBL13638779 0.94 MAP4K1 (0.39) MAP4K1IDH1ADORA2AADORA1FPR1
SCHEMBL13634681 0.94 HRH3 (0.38) HRH3PIM2GPR6
SCHEMBL13638990 0.92 MAP4K1 (0.38) MAP4K1IDH1ADORA2AADORA1FPR1
SCHEMBL13634587 0.87 GPR6 (0.36) HRH3PIM2GPR6
SCHEMBL13638992 0.86 IRAK4 (0.39) IDH1HRH3SYKGPR6
SCHEMBL13634843 0.85 GPR6 (0.38) PIM2GPR6
SCHEMBL13634650 0.84 IRAK4 (0.50)
SCHEMBL13634716 0.83 HRH3 (0.40) HRH3GPR6
SCHEMBL13634602 0.82 IDH1 (0.40) IDH1HRH3
SCHEMBL13634719 0.81 HRH3 (0.39) HRH3GPR6

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