SCHEMBL13634776

SCHEMBL13634776

CCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1coc(N2CCC(Oc3ccc(C#N)cn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
GPR6 P46095 4/20 0.40
CHEK1 O14757 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
S1PR1 P21453 1/20 0.38
F10 P00742 1/20 0.38
CHRM4 P08173 3/20 0.37
ITK Q08881 1/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
CYP3A4 P08684 1/20 0.36
CSF1R P07333 3/20 0.36
KIT P10721 1/20 0.36
PAICS P22234 1/20 0.36

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
SCHEMBL13634607 0.93 GPR6 (0.39) GPR6CHEK1IRAK4F10CHRM4
SCHEMBL13634781 0.92 GPR6 (0.40) GPR6CHEK1IRAK4S1PR1F10
SCHEMBL13634777 0.91 P2RX3 (0.44) GPR6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13634545 0.90 P2RX3 (0.41) GPR6CHEK1F10PRKAB2PRKAG1
SCHEMBL13162688 0.86 P2RX3 (0.42) CHEK1IRAK4PRKAB2PRKAG1PRKAA2
SCHEMBL13270762 0.85 S1PR1 (0.40) GPR6IRAK4S1PR1F10
SCHEMBL13270419 0.79 F10 (0.40) IRAK4S1PR1F10
SCHEMBL13634814 0.78 MCHR1 (0.39) IRAK4S1PR1F10CYP3A4
SCHEMBL13634673 0.77 PIM1 (0.43) GPR6IRAK4PAICS
SCHEMBL13634816 0.77 MCHR1 (0.38) IRAK4S1PR1F10CYP3A4

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