SCHEMBL29620971

SCHEMBL29620971

N#Cc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.62
FLT1 P17948 4/20 0.44
KDR P35968 4/20 0.44
NPC1 O15118 2/20 0.42
ACHE P22303 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
CHEK1 O14757 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
QPCT Q16769 1/20 0.40

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
SCHEMBL28733794 1.00 GSK3B (0.62) GSK3BFLT1KDRNPC1ACHE
SCHEMBL24636885 0.86 NPSR1 (0.47) GSK3BFLT1KDRNPC1CHEK1
SCHEMBL29621039 0.86 NPSR1 (0.47) GSK3BFLT1KDRNPC1CHEK1
SCHEMBL29620967 0.83 TRPV1 (0.47) GSK3BFLT1KDRCHEK1
SCHEMBL22925496 0.83 TRPV1 (0.47) GSK3BFLT1KDRCHEK1
SCHEMBL28733654 0.83 QPCT (0.43) GSK3BACHECHEK1QPCT
SCHEMBL29620959 0.83 QPCT (0.43) GSK3BACHECHEK1QPCT
SCHEMBL22925913 0.79 HDAC6 (0.43) CHEK1
SCHEMBL24636908 0.79 HSD11B1 (0.45) GSK3BCHEK1
SCHEMBL29620964 0.79 HSD11B1 (0.45) GSK3BCHEK1

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 3 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 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