SCHEMBL24929319

SCHEMBL24929319

O=C(O)c1ccc(-c2cnc3cc(C(=O)N4CCC(F)(F)CC4)ccn23)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
MKNK1 Q9BUB5 8/20 0.39
MKNK2 Q9HBH9 8/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
VNN1 O95497 1/20 0.37
KDR P35968 3/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
FLT3 P36888 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
SCHEMBL30361476 1.00 HPGD (0.50) HPGDMKNK1MKNK2SCN10AAKT1
SCHEMBL30947686 0.91 HPGD (0.49) HPGDMKNK1MKNK2AKT1AKT2
SCHEMBL24929322 0.89 HPGD (0.53) HPGDMKNK1MKNK2KDRJAK2
SCHEMBL24929887 0.87 HPGD (0.46) HPGDMKNK1MKNK2AKT1AKT2
SCHEMBL24929889 0.84 HPGD (0.48) HPGDMKNK1MKNK2SCN10AKDR
SCHEMBL30361443 0.81 HPGD (0.45) HPGDMKNK1MKNK2VNN1
SCHEMBL24929321 0.81 HPGD (0.45) HPGDMKNK1MKNK2VNN1
SCHEMBL24929888 0.77 HPGD (0.47) HPGDAKT1AKT2VNN1
SCHEMBL25342736 0.69 MKNK1 (0.44) HPGDMKNK1MKNK2
SCHEMBL30482612 0.69 MKNK1 (0.44) HPGDMKNK1MKNK2

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-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed