SCHEMBL13680666

SCHEMBL13680666

Cc1cccc(-c2ccc3nccn3c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.68
TGFBR2 P37173 2/20 0.68
DYRK1A Q13627 2/20 0.57
FAAH O00519 1/20 0.47
PDE4A P27815 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RET P07949 2/20 0.43
PIK3CA P42336 1/20 0.43
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42
MERTK Q12866 1/20 0.42
KEAP1 Q14145 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL15638648 0.85 TGFBR1 (0.65) TGFBR1TGFBR2DYRK1APDE4APDE3A
SCHEMBL29676952 0.82 TGFBR1 (1.00) TGFBR1TGFBR2DYRK1A
SCHEMBL18041609 0.82 TGFBR1 (0.61) TGFBR1TGFBR2DYRK1APDE4APDE3A
SCHEMBL18041895 0.82 TGFBR1 (1.00) TGFBR1TGFBR2DYRK1A
SCHEMBL30186375 0.81 DYRK1A (0.57) TGFBR1TGFBR2DYRK1AFAAHCYP3A4
SCHEMBL1832251 0.81 DYRK1A (0.57) TGFBR1TGFBR2DYRK1AFAAHRET
SCHEMBL14320819 0.81 DYRK1A (0.63) TGFBR1TGFBR2DYRK1AFAAHCYP3A4
SCHEMBL30007309 0.81 DYRK1A (0.63) TGFBR1TGFBR2DYRK1AFAAHCYP3A4
SCHEMBL13680536 0.81 TGFBR1 (0.53) TGFBR1TGFBR2PIK3CAFLT3HDAC6
SCHEMBL13336394 0.81 ALDH1A3 (0.53) TGFBR1TGFBR2DYRK1AALDH1A3

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