SCHEMBL5598508

SCHEMBL5598508

COc1cc(Oc2ccnc3ccncc23)ccc1C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.48
CDK8 P49336 7/20 0.48
PDGFRA P16234 5/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 5/20 0.42
MET P08581 3/20 0.42
AURKA O14965 2/20 0.42
LCK P06239 2/20 0.42
AURKB Q96GD4 2/20 0.42
TEK Q02763 1/20 0.42
FGFR2 P21802 2/20 0.41
DDR2 Q16832 2/20 0.41
KIT P10721 2/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
ABL1 P00519 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
SCHEMBL5598854 0.87 CCNC (0.44) CCNCCDK8PDGFRAPDGFRBKDR
SCHEMBL2175230 0.84 KDR (0.53) PDGFRAPDGFRBKDRMETAURKA
SCHEMBL5598959 0.80 PDGFRB (0.52) CCNCCDK8PDGFRAPDGFRBKDR
SCHEMBL5598545 0.75 PDGFRB (0.49) CCNCCDK8PDGFRAPDGFRBKDR
SCHEMBL5598589 0.73 PDGFRB (0.48) CCNCCDK8PDGFRAPDGFRBKDR
SCHEMBL30946604 0.73 PTGS2 (0.57)
SCHEMBL490635 0.73 PTGS2 (0.57)
SCHEMBL24011308 0.73 CCNC (0.50) CCNCCDK8PDGFRAPDGFRBEGFR
SCHEMBL5591912 0.72 PDGFRB (0.50) CCNCCDK8PDGFRAPDGFRBKDR
SCHEMBL2175628 0.72 MET (0.50) PDGFRAPDGFRBKDRMETAURKA

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
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed