SCHEMBL13634777

SCHEMBL13634777

N#Cc1ccc(OC2CCN(c3nc(C(=O)Nc4ccc(CN5CCOCC5)cc4C(=O)NC4CCOCC4)co3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
PRKAA2 P54646 15/20 0.42
PRKAB2 O43741 5/20 0.42
PRKAG1 P54619 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAG3 Q9UGI9 5/20 0.42
PRKAG2 Q9UGJ0 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
CYP3A4 P08684 1/20 0.42
GPR6 P46095 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MCHR1 Q99705 1/20 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
SCHEMBL13634545 0.97 P2RX3 (0.41) P2RX3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13162688 0.95 P2RX3 (0.42) P2RX3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13634781 0.92 GPR6 (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13634607 0.91 GPR6 (0.39) P2RX3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13634776 0.91 IP6K1 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13634673 0.86 PIM1 (0.43) P2RX3GPR6
SCHEMBL13634778 0.82 PIM1 (0.39) P2RX3GPR6
SCHEMBL13634601 0.82 MCHR1 (0.43) GPR6FGFR1FGFR2FGFR3MCHR1
SCHEMBL13634791 0.82 PIM1 (0.39) P2RX3GPR6
SCHEMBL13270634 0.81 P2RX3 (0.41) P2RX3PRKAA2PRKAB2PRKAG1PRKAA1

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