SCHEMBL24928923

SCHEMBL24928923

Cn1cnc(-c2ccc(-n3nnc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)cn2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.50
RXRA P19793 1/20 0.35
VNN1 O95497 1/20 0.35
ADRA1A P35348 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TYK2 P29597 1/20 0.31
GABRA5 P31644 1/20 0.31
NPC1 O15118 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL30361460 0.84 HPGD (0.47) HPGDRXRAVNN1SMN1; SMN2LRRK2
SCHEMBL30361485 0.81 HPGD (0.46) HPGDRXRAVNN1LRRK2ADORA2A
SCHEMBL24928922 0.81 HPGD (0.46) HPGDRXRAVNN1LRRK2ADORA2A
SCHEMBL30947683 0.80 HPGD (0.50) HPGDRXRAVNN1SMN1; SMN2LRRK2
SCHEMBL24463691 0.80 HPGD (0.53) HPGDRXRAVNN1SMN1; SMN2LRRK2
SCHEMBL24928924 0.79 HPGD (0.52) HPGDRXRAVNN1LRRK2ADORA2A
SCHEMBL30361451 0.79 HPGD (0.52) HPGDRXRAVNN1LRRK2ADORA2A
SCHEMBL30361471 0.79 HPGD (0.52) HPGDRXRAVNN1ADRA1ASMN1; SMN2
SCHEMBL24929596 0.78 HPGD (0.57) HPGDRXRAVNN1LRRK2ALDH1A1
SCHEMBL24929885 0.77 HPGD (0.51) HPGDSMN1; SMN2ADORA2A

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