SCHEMBL26629809

SCHEMBL26629809

COc1ncc(-c2ccc(F)nc2)c(N2CCC(c3nnc(N)n3C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.48
SLC9A2 Q9UBY0 1/20 0.48
QPCT Q16769 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
RPS6KB1 P23443 12/20 0.39
AKT1 P31749 8/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIK3CA P42336 1/20 0.34
GSK3B P49841 1/20 0.33
NEK2 P51955 1/20 0.33

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
SCHEMBL30610999 1.00 SLC9A1 (0.48) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL26750620 0.89 QPCT (0.52) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL30610998 0.89 QPCT (0.50) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL26629803 0.89 QPCT (0.50) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL26629815 0.89 QPCT (0.50) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL30610990 0.89 QPCT (0.50) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL30611005 0.88 QPCT (0.49) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL26629804 0.88 QPCT (0.49) SLC9A1SLC9A2QPCTQPCTLRPS6KB1
SCHEMBL24377365 0.87 QPCT (0.55) QPCTQPCTLRPS6KB1AKT1AKT2
SCHEMBL24377345 0.85 QPCT (0.52) SLC9A1QPCTQPCTLRPS6KB1AKT1

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-2023205173-A1 SUBSTITUTED PIPERIDINES AND SUBSTITUTED TETRAHYDROPYRIDINES AS IMMUNE-MODULATING COMPOUNDS BLACKSMITH MEDICINES, INC. (US) 2023-10-26 WO disclosed