SCHEMBL22685196

SCHEMBL22685196

C#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C)nc4N)cc3)COC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 8/20 0.42
ABL1 P00519 3/20 0.40
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PDE2A O00408 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
BTK Q06187 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
SCHEMBL22686795 0.92 BTK (0.38) ABL1MAP4K4MINK1TNIKCTSL
SCHEMBL22685197 0.89 WDR91 (0.41) WDR91ABL1MAP4K4MINK1TNIK
SCHEMBL22684822 0.81 WDR91 (0.40) WDR91ABL1CTSLCTSBCTSS
SCHEMBL22686796 0.80 BTK (0.38) CTSLCTSBCTSSPDE2AEGLN1
SCHEMBL22685308 0.79 PDE10A (0.40) CTSLCTSBCTSSEGLN1BTK
SCHEMBL22685165 0.77 WDR91 (0.42) WDR91ABL1PDE2ABTK
SCHEMBL22685198 0.77 WDR91 (0.53) WDR91ABL1MAP4K4
SCHEMBL22685311 0.76 WDR91 (0.55) WDR91ABL1MAP4K4
SCHEMBL22685086 0.74 WDR91 (0.43) WDR91PDE2A
SCHEMBL22657417 0.71 MKNK1 (0.45) ABL1MAP4K4MINK1TNIKCTSL

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