SCHEMBL17778407

SCHEMBL17778407

CC1(C)OC[C@@H](COc2cncc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ncc4N4CCC3C4)n2)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ RPS6KB1 P23443 6/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RICTOR Q6R327 1/20 0.32
▸ RPTOR Q8N122 1/20 0.32
▸ MAPKAP1 Q9BPZ7 1/20 0.32
▸ MLST8 Q9BVC4 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CPT2 P23786 2/20 0.31
▸ CPT1A P50416 2/20 0.31
▸ CPT1B Q92523 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RPS6KA5 O75582 1/20 0.31
▸ RPS6KA4 O75676 1/20 0.31
▸ RPS6KA3 P51812 1/20 0.31

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
SCHEMBL17769417 1.00 RAF1 (0.33) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769415 1.00 RAF1 (0.33) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769734 1.00 RAF1 (0.33) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769555 0.96 KIF11 (0.33) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769558 0.96 KIF11 (0.33) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769675 0.94 KIF18A (0.34) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL20550861 0.94 KIF18A (0.34) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL20550420 0.94 KIF18A (0.34) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17778372 0.94 KIF18A (0.34) RAF1BRAFTRPV1RPS6KB1PIK3CA
SCHEMBL17769673 0.94 KIF18A (0.34) RAF1BRAFTRPV1RPS6KB1PIK3CA

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-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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