SCHEMBL13634698

SCHEMBL13634698

Cc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 10/20 0.47
FGFR1 P11362 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
MAPK14 Q16539 1/20 0.39
GPR6 P46095 1/20 0.38
FLT3 P36888 1/20 0.38
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
SCD O00767 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL13634648 0.92 MAP3K7 (0.51) MAP3K7FGFR1IRAK4GPR6
SCHEMBL13634863 0.92 MAP3K7 (0.48) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13634620 0.90 SCD (0.46) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13634736 0.90 MAP3K7 (0.40) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13634609 0.89 GPR6 (0.41) FGFR1GPR6SCDHRH3
SCHEMBL13638941 0.88 MAP3K7 (0.43) MAP3K7FGFR1IRAK4ABL1KIT
SCHEMBL13634598 0.88 HRH3 (0.42) IRAK4GPR6SCDHRH3
SCHEMBL13634882 0.83 MAP3K7 (0.39) MAP3K7GPR6SCD
SCHEMBL13634547 0.82 MAP3K7 (0.39) MAP3K7IRAK4GPR6SCDHRH3
SCHEMBL13634880 0.81 RAB9A (0.40) MAP3K7SCD

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