SCHEMBL22686792

SCHEMBL22686792

C#Cc1ccc(C(=O)NC2(c3ccc(-c4cccnc4OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 12/20 0.43
▸ TLR7 Q9NYK1 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ BTK Q06187 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
SCHEMBL22685085 0.80 AKT1 (0.38) PDE2AAKT1ABL1CXCR3BTK
SCHEMBL22685306 0.74 IDO1 (0.41) PDE2AAKT1CXCR3
SCHEMBL22686780 0.74 ROCK2 (0.37) PDE2AAKT1BTK
SCHEMBL22685308 0.74 PDE10A (0.40) BTK
SCHEMBL22685312 0.73 BTK (0.38) PDE2AAKT1BTK
SCHEMBL22685349 0.73 PDE2A (0.38) PDE2ACXCR3BTK
SCHEMBL22685090 0.72 CD274 (0.43) AKT1BTK
SCHEMBL22685161 0.72 PTPN1 (0.46) BTK
SCHEMBL22685089 0.72 PDE2A (0.43) PDE2AAKT1TRPV1BTK
SCHEMBL22657417 0.72 MKNK1 (0.45) AKT1ABL1CXCR3BTK

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
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