SCHEMBL30611005

SCHEMBL30611005

Cc1ncc(-c2ccc(F)nc2)c(N2CCC(c3nnc(N)n3C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
RPS6KB1 P23443 11/20 0.41
SLC9A1 P19634 5/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
AKT1 P31749 7/20 0.36
PIK3CA P42336 1/20 0.35
DHFR P00374 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
SCHEMBL26629804 1.00 QPCT (0.49) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL30610990 0.91 QPCT (0.50) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL30610998 0.91 QPCT (0.50) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL26629815 0.91 QPCT (0.50) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL26750620 0.91 QPCT (0.52) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL26629803 0.91 QPCT (0.50) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL24377365 0.90 QPCT (0.55) QPCTQPCTLRPS6KB1AKT1PIK3CA
SCHEMBL24377345 0.89 QPCT (0.52) QPCTQPCTLRPS6KB1SLC9A1AKT1
SCHEMBL30610999 0.88 SLC9A1 (0.48) QPCTQPCTLRPS6KB1SLC9A1SLC9A2
SCHEMBL26629809 0.88 SLC9A1 (0.48) QPCTQPCTLRPS6KB1SLC9A1SLC9A2

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