SCHEMBL13634620

SCHEMBL13634620

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
ABL1 P00519 5/20 0.44
KIT P10721 5/20 0.44
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
BLK P51451 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
MAP3K7 O43318 6/20 0.40
SCN9A Q15858 1/20 0.39
FGFR1 P11362 1/20 0.39
GPR6 P46095 1/20 0.38
EGFR P00533 1/20 0.38
BRAF P15056 1/20 0.38
LRRK2 Q5S007 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DYRK1A Q13627 2/20 0.37
GSK3B P49841 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
SCHEMBL13638941 0.90 MAP3K7 (0.43) SCDABL1KITMAP3K7FGFR1
SCHEMBL13634698 0.90 MAP3K7 (0.47) SCDABL1KITMAP3K7FGFR1
SCHEMBL13634648 0.89 MAP3K7 (0.51) MAP3K7FGFR1GPR6EGFRLRRK2
SCHEMBL13634863 0.89 MAP3K7 (0.48) SCDMAP3K7FGFR1GPR6IRAK4
SCHEMBL13638934 0.89 SCD (0.49) SCDABL1KITGPR6
SCHEMBL13162054 0.89 SCD (0.50) SCDGPR6
SCHEMBL13634736 0.87 MAP3K7 (0.40) SCDMAP3K7FGFR1GPR6IRAK4
SCHEMBL13634882 0.81 MAP3K7 (0.39) SCDMAP3K7GPR6LRRK2
SCHEMBL13634880 0.79 RAB9A (0.40) SCDMAP3K7
SCHEMBL13634547 0.79 MAP3K7 (0.39) SCDMAP3K7GPR6LRRK2IRAK4

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