SCHEMBL9858637

SCHEMBL9858637

Fc1ccc(Oc2ccnc3ccncc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.63
CDK8 P49336 8/20 0.63
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PDGFRA P16234 3/20 0.45
KDR P35968 3/20 0.45
ALK Q9UM73 1/20 0.44
MET P08581 4/20 0.42
AXL P30530 3/20 0.42
MERTK Q12866 3/20 0.42
AURKA O14965 1/20 0.41
RIPK2 O43353 1/20 0.41
ABCB11 O95342 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 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
SCHEMBL9858440 0.88 LMNA (0.52) CCNCCDK8LMNAMAPTHTT
SCHEMBL27303568 0.81 KDR (0.49) LMNAMAPTHTTPDGFRAKDR
SCHEMBL7460943 0.78 PDGFRA (0.56) PDGFRAKDRALKMETAXL
SCHEMBL20887606 0.77 CCNC (1.00) CCNCCDK8
SCHEMBL5598507 0.76 CCNC (0.55) CCNCCDK8PDGFRAKDRMET
SCHEMBL17508474 0.76 MAPT (0.53) LMNAMAPTHTTCA12CA1
SCHEMBL20887646 0.76 CCNC (1.00) CCNCCDK8
SCHEMBL20887744 0.75 CCNC (0.49) CCNCCDK8LMNAPDGFRAKDR
SCHEMBL20887647 0.74 CCNC (1.00) CCNCCDK8ADRA2AADRA2C
SCHEMBL22434429 0.74 CCNC (1.00) CCNCCDK8ALKMETAXL

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-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 EP disclosed