SCHEMBL25845879

SCHEMBL25845879

Nc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.57
KDR P35968 7/20 0.57
GRM5 P41594 4/20 0.50
GRM4 Q14833 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
IKBKB O14920 4/20 0.49
LCK P06239 1/20 0.46
TEK Q02763 1/20 0.46

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
SCHEMBL13022969 0.91 PDGFRB (0.52) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25244359 0.89 PDGFRB (0.61) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL30563484 0.89 PDGFRB (0.55) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25280998 0.89 PDGFRB (0.55) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25231590 0.87 KDR (0.59) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25231184 0.87 PDGFRB (0.56) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25234680 0.86 PDGFRB (0.55) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL30563521 0.86 PDGFRB (0.55) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25232365 0.86 GRM5 (0.68) PDGFRBKDRGRM5GRM4KCNK3
SCHEMBL25279590 0.86 PDGFRB (0.55) PDGFRBKDRGRM5GRM4KCNK3

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-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed