SCHEMBL4037752

SCHEMBL4037752

COc1ccc(Nc2nnc(Cc3ccncc3)c3occc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.58
FLT1 P17948 10/20 0.53
PDGFRB P09619 6/20 0.53
KIT P10721 5/20 0.53
SHMT2 P34897 1/20 0.49
CIT O14578 1/20 0.48
EGFR P00533 1/20 0.48
HLA-A P04439 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
PDGFRA P16234 1/20 0.48
RPS6KB1 P23443 1/20 0.48
FLT4 P35916 1/20 0.48
FRK P42685 1/20 0.48
CDK8 P49336 1/20 0.48
DDR1 Q08345 1/20 0.48
STK3 Q13188 1/20 0.48
PTK6 Q13882 1/20 0.48
MAP3K19 Q56UN5 1/20 0.48
CDK19 Q9BWU1 1/20 0.48

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
SCHEMBL2202354 0.83 KDR (0.56) KDRFLT1PDGFRBKITEGFR
SCHEMBL905595 0.81 KDR (0.86) KDRFLT1PDGFRBKITSHMT2
SCHEMBL6608251 0.79 KDR (0.73) KDRFLT1PDGFRBKITSHMT2
SCHEMBL2199977 0.76 KDR (0.46) KDRPDGFRBKITFLT4MAP3K20
SCHEMBL8205919 0.74 KDR (0.62) KDRFLT1PDGFRBKITSHMT2
Hydrochloric Acid SCHEMBL6609409 0.74 KDR (0.61) KDRFLT1PDGFRBKITSHMT2
SCHEMBL22680408 0.71 KDR (0.83) KDRFLT1PDGFRBKITSHMT2
SCHEMBL2200989 0.71 KDR (0.82) KDRPDGFRBKITCSF1RFLT4
SCHEMBL6495745 0.71 KDR (0.76) KDRFLT1PDGFRBKITSHMT2
SCHEMBL6607478 0.70 KDR (0.71) KDRFLT1PDGFRBKITSHMT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed