SCHEMBL29620908

SCHEMBL29620908

O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
ALOX5 P09917 1/20 0.37
MAP2K1 Q02750 4/20 0.36
ULK1 O75385 2/20 0.36
VCP P55072 3/20 0.35
PRKAB2 O43741 1/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
RPS6KA1 Q15418 1/20 0.35

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
SCHEMBL22925753 1.00 GCGR (0.39) GCGRKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22925754 1.00 GCGR (0.39) GCGRKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL22925647 0.90 VCP (0.40) GCGRALOX5MAP2K1ULK1VCP
SCHEMBL29620865 0.90 VCP (0.40) GCGRALOX5MAP2K1ULK1VCP
SCHEMBL28733697 0.90 VCP (0.40) GCGRALOX5MAP2K1ULK1VCP
SCHEMBL22925675 0.87 TRPV1 (0.40) GCGRTRPV1ALOX5VCP
SCHEMBL29620976 0.87 TRPV1 (0.40) GCGRTRPV1ALOX5VCP
SCHEMBL22925985 0.87 TRPV1 (0.40) GCGRTRPV1ALOX5VCP
SCHEMBL22925988 0.87 TRPV1 (0.40) GCGRTRPV1ALOX5VCP
SCHEMBL29620979 0.87 TRPV1 (0.40) GCGRTRPV1ALOX5VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN claimed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed