SCHEMBL13634503

SCHEMBL13634503

CN1CCN(Cc2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
TNK1 Q13470 1/20 0.40
FGFR1 P11362 1/20 0.40
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MCHR1 Q99705 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
EGFR P00533 1/20 0.39
MAPK14 Q16539 2/20 0.38
F10 P00742 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
AXL P30530 1/20 0.38
GPR6 P46095 2/20 0.38
ROCK2 O75116 1/20 0.38
KDR P35968 1/20 0.38
KDM1A O60341 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38

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
SCHEMBL2772170 0.88 CYP2C9 (0.41) IRAK4GPR6
SCHEMBL13634684 0.87 MCHR1 (0.39) PARP1TNK1FGFR1KITFLT3
SCHEMBL2772028 0.84 OPRK1 (0.42) MCHR1IRAK4
SCHEMBL2770731 0.84 OPRK1 (0.42) MCHR1IRAK4F10
Hydrochloric Acid SCHEMBL2770260 0.83 OPRK1 (0.41) FGFR1MCHR1IRAK4GSK3BF10
Hydrochloric Acid SCHEMBL2770518 0.83 IRAK4 (0.39) PARP1TNK1MCHR1IRAK4EGFR
SCHEMBL2772498 0.83 PARP1 (0.43) PARP1TNK1MCHR1IRAK4F10
SCHEMBL2770451 0.82 GPR6 (0.43) GPR6
SCHEMBL13634541 0.82 OPRK1 (0.40) IRAK4
SCHEMBL13634642 0.81 PARP1 (0.40) PARP1TNK1MCHR1F10GPR6

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