SCHEMBL5990852

SCHEMBL5990852

CCc1cc(CC)c(C=C2C(=O)Nc3nc(C)c(-c4ccncc4)cc32)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.42
PDE3A Q14432 13/20 0.42
KDR P35968 1/20 0.37
ALK Q9UM73 2/20 0.33
PDGFRB P09619 1/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.33
FLT3 P36888 1/20 0.33
PDPK1 O15530 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL5988025 0.83 PDGFRB (0.43) PDE3BPDE3AKDRALKPDGFRB
SCHEMBL5989523 0.81 RET (0.51) PDE3BPDE3AKDRALKPDGFRB
SCHEMBL5988631 0.79 PDGFRB (0.40) PDE3BPDE3AKDRALKPDGFRB
SCHEMBL5991041 0.78 PDE3B (0.45) PDE3BPDE3AKDRALKPDGFRB
SCHEMBL5989181 0.78 EGFR (0.51) PDE3BPDE3A
SCHEMBL5991013 0.77 PDE3B (0.42) PDE3BPDE3AALKABL1RET
SCHEMBL5989414 0.77 PDE3B (0.42) PDE3BPDE3A
SCHEMBL6390720 0.76 PDGFRB (0.58) KDRALKPDGFRBABL1RET
SCHEMBL5988083 0.76 KDR (0.36) KDRALKPDGFRBABL1RET
SCHEMBL5988454 0.75 KDR (0.44) KDRALKPDGFRBABL1RET

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-6849641-B1 Azaindole tyrosine kinase inhibitors SUGEN, INC. (US) 2005-02-01 US claimed
US-6987113-B2 Tyrosine kinase inhibitors SUGEN, INC. (US) 2006-01-17 US disclosed