SCHEMBL13634635

SCHEMBL13634635

Cc1ccnc(OC2CCN(c3nc(C(=O)Nc4ccncc4C(=O)NC4CCOCC4)co3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.45
TGFBR1 P36897 2/20 0.41
IRAK4 Q9NWZ3 10/20 0.38
GPR6 P46095 3/20 0.38
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL13634872 0.89 GPR6 (0.41) IRAK4GPR6ALDH1A1
SCHEMBL13634570 0.88 GPR6 (0.40) TGFBR1IRAK4GPR6MAPK14ALDH1A1
SCHEMBL13634916 0.88 GPR6 (0.42) IRAK4GPR6ALDH1A1
SCHEMBL13634835 0.86 PIM1 (0.42) PIM1GPR6ALDH1A1
SCHEMBL13634798 0.84 PIM1 (0.48) PIM1IRAK4GPR6
SCHEMBL13634673 0.82 PIM1 (0.43) PIM1IRAK4GPR6
SCHEMBL13634792 0.81 PDE10A (0.46) PIM1TGFBR1IRAK4GPR6
SCHEMBL13634671 0.81 PDE10A (0.46) PIM1TGFBR1IRAK4GPR6
SCHEMBL13634622 0.81 PIM1 (0.48) PIM1TGFBR1IRAK4GPR6
SCHEMBL13634507 0.81 CNR2 (0.43) PIM1IRAK4

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