SCHEMBL13634753

SCHEMBL13634753

O=C(Nc1cnc(CN2CCOCC2)cc1C(=O)O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
GPR6 P46095 1/20 0.37
SCD O00767 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
PRKCQ Q04759 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
SCHEMBL13634857 0.90 GPR6 (0.39) OPRK1KMT2AIRAK4GPR6SCD
SCHEMBL13638910 0.90 KMT2A (0.38) OPRK1KMT2AIRAK4GPR6
SCHEMBL2770731 0.88 OPRK1 (0.42) OPRK1KMT2AIRAK4
SCHEMBL13634783 0.83 IRAK4 (0.48) OPRK1KMT2AIRAK4
SCHEMBL13634541 0.81 OPRK1 (0.40) OPRK1KMT2AIRAK4
SCHEMBL2772028 0.81 OPRK1 (0.42) OPRK1KMT2AIRAK4
Hydrochloric Acid SCHEMBL2770260 0.81 OPRK1 (0.41) OPRK1KMT2AIRAK4GSK3B
SCHEMBL2772498 0.80 PARP1 (0.43) OPRK1KMT2AIRAK4
SCHEMBL2769972 0.80 PIM1 (0.42) GPR6SCDPIM1PIM3PIM2
Hydrochloric Acid SCHEMBL2770518 0.79 IRAK4 (0.39) OPRK1KMT2AIRAK4SCD

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