SCHEMBL13680593

SCHEMBL13680593

Cc1ccc(-c2ccc3c(c2)CNC3=O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.56
GSK3B P49841 3/20 0.56
NTRK1 P04629 2/20 0.56
FLT3 P36888 2/20 0.56
DAPK3 O43293 1/20 0.56
PIM1 P11309 1/20 0.56
ROCK1 Q13464 1/20 0.56
BRAF P15056 1/20 0.44
PRKCI P41743 1/20 0.44
DYRK1B Q9Y463 2/20 0.43
FYN P06241 1/20 0.43
PRF1 P14222 6/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
GRM5 P41594 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL13680969 0.76 GSK3B (0.43) CLK4GSK3BNTRK1FLT3DAPK3
SCHEMBL13680699 0.76 HSD17B1 (0.51) GSK3BGRM5
SCHEMBL13680592 0.75 PRF1 (0.55) PRF1
SCHEMBL13680532 0.73 CLK4 (0.78) CLK4GSK3BNTRK1FLT3DAPK3
SCHEMBL148819 0.72 PARP10 (0.68) CLK4GSK3BNTRK1FLT3DAPK3
SCHEMBL8167297 0.71 CLK4 (0.75) CLK4GSK3BNTRK1FLT3DAPK3
Ethane SCHEMBL27832823 0.71 PARP10 (0.66) CLK4GSK3BNTRK1FLT3DAPK3
SCHEMBL13680600 0.71 GRIA1 (0.57) TGFBR1ACVR1
SCHEMBL20923873 0.71 PRF1 (0.62) CLK4GSK3BNTRK1FLT3DAPK3
SCHEMBL15984853 0.71 GSK3B (0.56) CLK4GSK3BNTRK1FLT3DAPK3

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