SCHEMBL13634781

SCHEMBL13634781

N#Cc1ccc(OC2CCN(c3nc(C(=O)Nc4ccc(CN5CCOCC5)cc4C(=O)O)co3)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 6/20 0.40
CHEK1 O14757 1/20 0.39
PAICS P22234 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ACHE P22303 1/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
CYP3A4 P08684 1/20 0.38
F10 P00742 1/20 0.38
CSF1R P07333 2/20 0.37
KIT P10721 1/20 0.37
ALB P02768 1/20 0.37
CHRM4 P08173 2/20 0.37
S1PR1 P21453 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL13634777 0.92 P2RX3 (0.44) GPR6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13634776 0.92 IP6K1 (0.41) GPR6CHEK1PAICSIRAK4PRKAB2
SCHEMBL13634607 0.91 GPR6 (0.39) GPR6CHEK1IRAK4PRKAB2PRKAG1
SCHEMBL13634545 0.91 P2RX3 (0.41) GPR6CHEK1PRKAB2PRKAG1PRKAA2
SCHEMBL13162688 0.87 P2RX3 (0.42) CHEK1IRAK4PRKAB2PRKAG1PRKAA2
SCHEMBL13634673 0.79 PIM1 (0.43) GPR6PAICSIRAK4
SCHEMBL13634227 0.78 DPP4 (0.44) GPR6PAICS
SCHEMBL13270419 0.78 F10 (0.40) IRAK4ACHEF10S1PR1
SCHEMBL13270762 0.77 S1PR1 (0.40) GPR6IRAK4ACHEF10S1PR1
SCHEMBL13634778 0.77 PIM1 (0.39) GPR6PAICSIRAK4

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