SCHEMBL29622154

SCHEMBL29622154

Cc1ccc(Br)c(N2CCC(c3nnc(N)n3C)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 13/20 0.35
AKT1 P31749 11/20 0.34
OPRK1 P41145 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
AVPR1A P37288 1/20 0.31
PIM1 P11309 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
MAP4K4 O95819 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
SCHEMBL24377348 1.00 RPS6KB1 (0.35) RPS6KB1AKT1OPRK1MBOAT4AVPR1A
SCHEMBL26629817 0.83 OPRK1 (0.34) RPS6KB1AKT1OPRK1HRH4
SCHEMBL26749958 0.79 RPS6KB1 (0.41) RPS6KB1AKT1AKT2AKT3
SCHEMBL26744216 0.78 HTR6 (0.39) RPS6KB1AKT1OPRK1HRH4
SCHEMBL26749781 0.78 RPS6KB1 (0.40) RPS6KB1AKT1AVPR1AHRH4
SCHEMBL29622069 0.78 LRRK2 (0.34) RPS6KB1AKT1OPRK1MBOAT4HRH4
SCHEMBL24377352 0.78 LRRK2 (0.34) RPS6KB1AKT1OPRK1MBOAT4HRH4
SCHEMBL26749847 0.77 KDM1A (0.43) RPS6KB1AKT1AVPR1AHRH4
SCHEMBL24377345 0.76 QPCT (0.52) RPS6KB1AKT1AKT2AKT3
SCHEMBL26741733 0.76 SLC9A1 (0.39) RPS6KB1AKT1AKT2AKT3

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-2023205173-A1 SUBSTITUTED PIPERIDINES AND SUBSTITUTED TETRAHYDROPYRIDINES AS IMMUNE-MODULATING COMPOUNDS BLACKSMITH MEDICINES, INC. (US) 2023-10-26 WO disclosed
WO-2022086920-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. (US) 2022-04-28 WO disclosed