SCHEMBL13634736

SCHEMBL13634736

CN1CCN(C(=O)c2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(S(C)(=O)=O)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 11/20 0.40
FGFR1 P11362 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
GPR6 P46095 1/20 0.37
FLT3 P36888 1/20 0.36
SCD O00767 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
SCHEMBL13634698 0.90 MAP3K7 (0.47) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13634621 0.90 GPR6 (0.39) FGFR1HRH3GPR6SCD
SCHEMBL13634648 0.89 MAP3K7 (0.51) MAP3K7FGFR1IRAK4GPR6
SCHEMBL13634863 0.89 MAP3K7 (0.48) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13634702 0.89 HRH3 (0.41) IRAK4HRH3GPR6SCD
SCHEMBL13634620 0.87 SCD (0.46) MAP3K7FGFR1IRAK4GSK3BDYRK1A
SCHEMBL13638941 0.86 MAP3K7 (0.43) MAP3K7FGFR1IRAK4GPR6SCD
SCHEMBL13634882 0.81 MAP3K7 (0.39) MAP3K7GPR6SCD
SCHEMBL13634619 0.79 SCN9A (0.43) IRAK4GPR6SCD
SCHEMBL13634880 0.79 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 1 patent. 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