SCHEMBL23033570

SCHEMBL23033570

CC(C)c1ccnc(C(C)(C)C)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
RPS6KA3 P51812 1/20 0.32
EIF4A3 P38919 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL25897502 0.87 RPS6KA3 (0.31) RPS6KA3
SCHEMBL12263231 0.85 HTT (0.32) RPS6KA3HRH4
SCHEMBL23344933 0.85 KRAS (0.34)
SCHEMBL14927232 0.78 TRPA1 (0.31)
SCHEMBL15248196 0.75 RPS6KA3 (0.39) ALOX5APFEN1RPS6KA3EIF4A3HRH4
SCHEMBL21718451 0.75 CXCR2 (0.30)
SCHEMBL11955166 0.74 CCR1 (0.37)
SCHEMBL22543805 0.74 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL15834952 0.74 HRH4 (0.35) ALOX5APFEN1RPS6KA3EIF4A3HRH4
SCHEMBL26036544 0.74 RPS6KA3 (0.34) ALOX5APFEN1RPS6KA3EIF4A3HRH4

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-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed