SCHEMBL13680719

SCHEMBL13680719

Cc1ccc(-c2ccc3nccn3c2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
TGFBR1 P36897 7/20 0.46
MERTK Q12866 5/20 0.44
AXL P30530 4/20 0.44
FLT3 P36888 4/20 0.44
TGFBR2 P37173 1/20 0.42
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL13680570 0.78 PIK3C3 (0.39) DYRK1ATGFBR1MERTKAXLFLT3
SCHEMBL14826052 0.75 DYRK1A (0.85) DYRK1ATGFBR1MERTKAXLFLT3
SCHEMBL13681028 0.73 DYRK1A (0.43) DYRK1ATGFBR1MERTKAXLFLT3
SCHEMBL17643865 0.72 DYRK1A (0.57) DYRK1ATGFBR1KEAP1CYP3A4MEN1
SCHEMBL15743398 0.71 DYRK1A (0.60) DYRK1ATGFBR1TGFBR2PDE4APDE3A
SCHEMBL31380869 0.71 DYRK1A (0.54) DYRK1ATGFBR1NFKB1MEN1KMT2A
SCHEMBL87222 0.70 DYRK1A (0.53) DYRK1ATGFBR1TGFBR2PDE4APDE3A
SCHEMBL17930295 0.70 TGFBR1 (0.64) DYRK1ATGFBR1MERTKAXLFLT3
SCHEMBL1576521 0.69 DYRK1A (0.73) DYRK1ATGFBR1MERTKAXLFLT3
SCHEMBL18584820 0.69 DYRK1A (1.00) DYRK1ATGFBR1MERTKAXLFLT3

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