SCHEMBL22685073

SCHEMBL22685073

N#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C(F)(F)F)cc4N)cc3)COC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
CYP2C9 P11712 2/20 0.41
WDR91 A4D1P6 2/20 0.40
MAP4K4 O95819 2/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
EGLN1 Q9GZT9 7/20 0.39
PDE2A O00408 2/20 0.39
KDM1A O60341 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DEGS1 O15121 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL22685245 0.92 MAP4K4 (0.41) IDO1CYP2C9MAP4K4MINK1TNIK
SCHEMBL22685074 0.89 IDO1 (0.51) IDO1CYP2C9WDR91MAP4K4PDE2A
SCHEMBL22685078 0.88 WDR91 (0.53) IDO1CYP2C9WDR91MAP4K4PDE2A
SCHEMBL22685072 0.88 IDO1 (0.43) IDO1CYP2C9WDR91PDE2AHDAC6
SCHEMBL22685075 0.86 IDO1 (0.43) IDO1CYP2C9WDR91MAP4K4PDE2A
SCHEMBL22438817 0.81 EGLN1 (0.41) IDO1CYP2C9MAP4K4MINK1TNIK
SCHEMBL22438754 0.80 FASN (0.43) IDO1CYP2C9MAP4K4MINK1TNIK
SCHEMBL30070801 0.80 FASN (0.43) IDO1CYP2C9MAP4K4MINK1TNIK
SCHEMBL23908259 0.80 IDO1 (0.45) IDO1CYP2C9MAP4K4MINK1TNIK
SCHEMBL22438887 0.79 CYP2C9 (0.53) IDO1CYP2C9MAP4K4MINK1TNIK

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed