SCHEMBL22797016

SCHEMBL22797016

Cc1c(-c2cncc(-c3cc(-c4ccncc4)c(C)c(C(C)C)c3)c2)cccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.38
CTSA P10619 1/20 0.33
MAPK10 P53779 1/20 0.32
DYRK1A Q13627 2/20 0.32
NFATC1 O95644 1/20 0.32
GSK3B P49841 1/20 0.32
LRRK2 Q5S007 2/20 0.32
TEK Q02763 1/20 0.32
RPS6KA3 P51812 1/20 0.32
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 0.31
USP1 O94782 2/20 0.31
WDR48 Q8TAF3 2/20 0.31
GCGR P47871 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPA1 O75762 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL22702052 0.93 FYN (0.39) FYNCTSAMAPK10DYRK1ANFATC1
SCHEMBL18375348 0.83 LRRK2 (0.39) MAPK10DYRK1ANFATC1GSK3BLRRK2
SCHEMBL22702214 0.74 EPHX1 (0.38) FYNMAPK10LRRK2TEKKCNH2
SCHEMBL18367721 0.73 CYP2A6 (0.46) USP1WDR48
SCHEMBL26563732 0.72 MAPT (0.46) GSK3BRPS6KA3GCGR
SCHEMBL14493338 0.71 RPS6KA3 (0.41) FYNMAPK10DYRK1ANFATC1GSK3B
SCHEMBL18367725 0.70 GABRA1 (0.38) RPS6KA3SOS1USP1WDR48TRPA1
SCHEMBL6318808 0.69 PDCD1 (0.50) USP1WDR48
SCHEMBL8819417 0.69 CA12 (0.51) MAPK10TEKRPS6KA3GCGRKCNH2
SCHEMBL23674396 0.67 MAPT (0.41) MAPK10TEKGCGR

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-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed