SCHEMBL13680648

SCHEMBL13680648

CC(=O)Nc1ncc(-c2cccc(C)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
CHEK1 O14757 1/20 0.45
FGFR1 P11362 1/20 0.45
NEK2 P51955 1/20 0.45
MAPK15 Q8TD08 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
MAPK14 Q16539 1/20 0.45
WNT3A P56704 2/20 0.44
CNR1 P21554 1/20 0.43
ADORA2A P29274 1/20 0.43
MAP4K4 O95819 1/20 0.43
FYN P06241 1/20 0.42
USP7 Q93009 1/20 0.42
KMO O15229 1/20 0.42
GRIN2B Q13224 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL13680657 0.85 FAAH (0.46) EGLN1PIK3C3WNT3ACNR1MAP4K4
SCHEMBL25586500 0.81 HSD17B10 (0.47) HSD17B10EGLN1CHEK1FGFR1NEK2
SCHEMBL13680653 0.79 KMO (0.48) EGLN1MAP4K4KMOGRIN2BSYK
SCHEMBL13680647 0.78 MAP4K4 (0.67) ADORA1EGLN1MAP4K4
SCHEMBL13680541 0.77 HSD17B10 (0.79) HSD17B10CNR1
SCHEMBL8265472 0.76 HSD17B10 (0.66) HSD17B10CNR1
SCHEMBL13304496 0.75 ADORA3 (0.46) HSD17B10ADORA3ADORA1PIK3C3
SCHEMBL22070487 0.75 CYP4F2 (0.66) HSD17B10EGLN1MAPK14WNT3AKMO
SCHEMBL14988290 0.75 HSD17B10 (0.55) HSD17B10PIK3C3WNT3AADORA2AFYN
SCHEMBL15344198 0.74 EGLN1 (0.47) ADORA1EGLN1MAP4K4KMO

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed