SCHEMBL13680577

SCHEMBL13680577

Cc1cccc(-c2ccc3c(c2)CNC3=O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.53
GSK3B P49841 2/20 0.53
DAPK3 O43293 1/20 0.53
NTRK1 P04629 1/20 0.53
PIM1 P11309 1/20 0.53
FLT3 P36888 1/20 0.53
ROCK1 Q13464 1/20 0.53
PARP10 Q53GL7 5/20 0.49
PARP11 Q9NR21 5/20 0.49
PRKCI P41743 1/20 0.48
FYN P06241 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
BRAF P15056 1/20 0.45
PRF1 P14222 2/20 0.44
CYP2A6 P11509 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
MTOR P42345 1/20 0.44
TARS1 P26639 1/20 0.43
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL15984853 0.80 GSK3B (0.56) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL13680668 0.77 CYP1A2 (0.50) PARP10PARP11CYP2A6TGFBR1GRM5
SCHEMBL26613487 0.77 PRKCI (0.47) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL13680532 0.77 CLK4 (0.78) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL13680566 0.76 PRF1 (0.52) PRF1
SCHEMBL26178248 0.76 PRKCI (0.55) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL5576724 0.75 CLK4 (0.41) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL13680629 0.74 GSK3B (0.52) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL23136945 0.73 BRAF (0.58) CLK4GSK3BDAPK3NTRK1PIM1
SCHEMBL30995381 0.73 BRAF (0.58) CLK4GSK3BDAPK3NTRK1PIM1

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