SCHEMBL21899463

SCHEMBL21899463

CCC(C)c1cnn2c(N)nc(-c3cncc(F)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
TLR7 Q9NYK1 18/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL21754321 0.88 AHR (0.49) AHRTLR7CYP11B1CYP11B2
SCHEMBL24408393 0.86 AHR (0.40) AHRTLR7CYP11B1CYP11B2
SCHEMBL21754187 0.79 CYP11B2 (0.39) AHRTLR7CYP11B1CYP11B2
SCHEMBL21899872 0.79 CYP11B1 (0.35) AHRTLR7CYP11B1CYP11B2
SCHEMBL21899137 0.78 AHR (0.36) AHRCYP11B2
SCHEMBL21899764 0.77 TLR7 (0.33) AHRTLR7CYP11B1CYP11B2
SCHEMBL23443604 0.75 CSNK1D (0.34) AHRTLR7CYP11B1CYP11B2
SCHEMBL21899187 0.75 AHR (0.37) AHRCYP11B1CYP11B2
SCHEMBL23444315 0.74 CYP11B2 (0.36) AHRCYP11B1CYP11B2
SCHEMBL20558149 0.74 AHR (0.49) AHRTLR7CYP11B1CYP11B2

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-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed