SCHEMBL13634681

SCHEMBL13634681

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 1/20 0.35
GPR6 P46095 2/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK10 P53779 1/20 0.34
CHEK1 O14757 1/20 0.34
FGFR1 P11362 1/20 0.34
PTPN1 P18031 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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) HRH3GPR6PIM2
SCHEMBL13634587 0.94 GPR6 (0.36) HRH3IRAK4OPRK1KMT2ASCD
SCHEMBL13634843 0.91 GPR6 (0.38) IRAK4OPRK1KMT2ASCDGPR6
SCHEMBL13638779 0.88 MAP4K1 (0.39) GPR6FFAR1
SCHEMBL13638990 0.86 MAP4K1 (0.38) IRAK4GPR6KDM4EHPGD
SCHEMBL13634602 0.85 IDH1 (0.40) HRH3IRAK4OPRK1KMT2A
SCHEMBL13634650 0.85 IRAK4 (0.50) IRAK4OPRK1KMT2A
SCHEMBL13634716 0.84 HRH3 (0.40) HRH3IRAK4OPRK1KMT2ASCD
SCHEMBL13638992 0.82 IRAK4 (0.39) HRH3IRAK4OPRK1KMT2AGPR6
SCHEMBL13634719 0.81 HRH3 (0.39) HRH3IRAK4OPRK1KMT2ASCD

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