SCHEMBL13638910

SCHEMBL13638910

COCCNC(=O)c1cc(CN2CCOCC2)ncc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
GPR6 P46095 2/20 0.35
PDE4B Q07343 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
WNT3A P56704 1/20 0.35
PDE5A O76074 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
SCHEMBL13634857 0.94 GPR6 (0.39) KMT2AOPRK1IRAK4GPR6PDE4B
SCHEMBL13634753 0.90 OPRK1 (0.39) KMT2AOPRK1IRAK4GPR6
SCHEMBL2770473 0.89 KMT2A (0.44) KMT2AOPRK1IRAK4PDE4BWNT3A
SCHEMBL13638885 0.86 IRAK4 (0.47) KMT2AOPRK1IRAK4
SCHEMBL13634567 0.83 MCHR1 (0.39) KMT2AOPRK1IRAK4PDE4B
SCHEMBL13638826 0.83 MCHR1 (0.40) KMT2AOPRK1
SCHEMBL13638933 0.82 MCHR1 (0.39) KMT2A
SCHEMBL13634684 0.82 MCHR1 (0.39) IRAK4WNT3A
SCHEMBL2772498 0.82 PARP1 (0.43) KMT2AOPRK1IRAK4PDE4B
SCHEMBL13634599 0.81 GPR6 (0.37) KMT2AOPRK1GPR6

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