SCHEMBL13638990

SCHEMBL13638990

COCCNC(=O)c1cc(N2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
IDH1 O75874 2/20 0.37
ADORA2A P29274 6/20 0.36
ADORA1 P30542 6/20 0.36
F10 P00742 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
ACACB O00763 3/20 0.34
SYK P43405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
GPR6 P46095 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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 0.92 MAP4K1 (0.39) MAP4K1IDH1ADORA2AADORA1F10
SCHEMBL13638779 0.92 MAP4K1 (0.39) MAP4K1IDH1ADORA2AADORA1F10
SCHEMBL13634843 0.89 GPR6 (0.38) GPR6IRAK4
SCHEMBL13638885 0.86 IRAK4 (0.47) IRAK4
SCHEMBL13638937 0.86 IRAK4 (0.38) IDH1SYKIRAK4
SCHEMBL13634681 0.86 HRH3 (0.38) KDM4EHPGDGPR6IRAK4
SCHEMBL13634587 0.85 GPR6 (0.36) GPR6IRAK4
SCHEMBL13634599 0.85 GPR6 (0.37) GPR6
SCHEMBL13638914 0.84 SCD (0.41) GPR6IRAK4
SCHEMBL13638926 0.84 GPR6 (0.37) 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