SCHEMBL25259875

SCHEMBL25259875

N#Cc1ccc(Nc2ncc(C(=O)N3CCC(F)(F)CC3)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 8/20 0.46
PRKAA2 P54646 3/20 0.45
FPR2 P25090 1/20 0.44
EPHX2 P34913 1/20 0.43
GRM5 P41594 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SYK P43405 1/20 0.41
DDR1 Q08345 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 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
SCHEMBL30589659 1.00 FASN (0.46) FASNPRKAA2FPR2EPHX2GRM5
SCHEMBL23675241 0.89 FASN (0.43) FASNPRKAA2FPR2EPHX2GRM5
SCHEMBL29565245 0.89 FASN (0.43) FASNPRKAA2FPR2EPHX2GRM5
SCHEMBL30589648 0.86 GRM5 (0.60) FASNGRM5NOS1NOS2CYP3A4
SCHEMBL25300159 0.86 GRM5 (0.60) FASNGRM5NOS1NOS2CYP3A4
SCHEMBL25296254 0.83 GRM5 (0.58) FASNPRKAA2GRM5ALDH1A1
SCHEMBL30589653 0.83 GRM5 (0.58) FASNPRKAA2GRM5ALDH1A1
SCHEMBL23680626 0.75 GRM5 (0.46) GRM5ALDH1A1
SCHEMBL24929603 0.75 FASN (0.46) FASNFPR2EPHX2NOS1NOS2
SCHEMBL24329653 0.73 GRM5 (0.42) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed
WO-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed