SCHEMBL30865110

SCHEMBL30865110

COc1cccc(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMPS P49915 2/20 0.85
PDGFRB P09619 2/20 0.65
FLT4 P35916 2/20 0.65
KDR P35968 3/20 0.62
EGFR P00533 9/20 0.61
AURKB Q96GD4 3/20 0.60
DYRK3 O43781 1/20 0.60
MAP4K4 O95819 1/20 0.60
PDGFRA P16234 1/20 0.60
LTK P29376 1/20 0.60
GRK5 P34947 1/20 0.60
MAPK8 P45983 1/20 0.60
CDK8 P49336 1/20 0.60
CDK7 P50613 1/20 0.60
IRAK1 P51617 1/20 0.60
NEK4 P51957 1/20 0.60
LIMK1 P53667 1/20 0.60
ACVR1 Q04771 1/20 0.60
TNK2 Q07912 1/20 0.60
DYRK1A Q13627 1/20 0.60

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
SCHEMBL22971857 0.92 GMPS (1.00) GMPSPDGFRBFLT4KDREGFR
SCHEMBL31318107 0.92 GMPS (1.00) GMPSPDGFRBFLT4KDREGFR
SCHEMBL19001586 0.86 EGFR (0.70) GMPSEGFRABCG2HTT
SCHEMBL18996626 0.85 EGFR (0.64) GMPSPDGFRBFLT4KDREGFR
SCHEMBL14286278 0.84 EGFR (0.84) GMPSPDGFRBFLT4KDREGFR
SCHEMBL18349206 0.82 EGFR (0.57) GMPSKDREGFRCSF1RNPC1
SCHEMBL1837650 0.80 ALDH1A1 (0.70) GMPSNPC1LMNAHTTRAB9A
SCHEMBL31390722 0.80 ALDH1A1 (0.70) GMPSNPC1LMNAHTTRAB9A
SCHEMBL18334803 0.79 EGFR (0.69) GMPSPDGFRBFLT4KDREGFR
SCHEMBL24249504 0.79 GMPS (0.77) GMPSPDGFRBFLT4KDREGFR

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
US-11955241-B2 Pathogenic biomarkers and serum extracellular vesicular biomarkers associated with vascular malformation of endothelial cells, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-09 US disclosed