SCHEMBL22685244

SCHEMBL22685244

COc1ccc(C(=O)NC2(c3ccc(-c4ccc(C(F)(F)F)nc4N)cc3)COC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 3/20 0.40
PTPN1 P18031 2/20 0.38
CD274 Q9NZQ7 1/20 0.36
PDE2A O00408 2/20 0.36
ABL1 P00519 1/20 0.36
GABRA5 P31644 1/20 0.36
SCN9A Q15858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
NNMT P40261 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN5A Q14524 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL22685248 0.92 PTPN1 (0.39) PTPN1PDE2ANNMTMKNK1MKNK2
SCHEMBL22685191 0.85 WDR91 (0.43) WDR91PDE2AABL1IDO1KCNH2
SCHEMBL22685351 0.84 WDR91 (0.54) WDR91PDE2AIDO1
SCHEMBL22684822 0.81 WDR91 (0.40) WDR91PDE2AABL1IDO1KCNH2
SCHEMBL22685250 0.79 PTPN1 (0.40) PTPN1PDE2AABL1NNMTMKNK1
SCHEMBL22685075 0.78 IDO1 (0.43) WDR91PTPN1PDE2AABL1SCN9A
SCHEMBL22684799 0.76 IDO1 (0.39) PDE2AABL1IDO1KCNH2HDAC3
SCHEMBL22685074 0.74 IDO1 (0.51) WDR91PDE2AABL1IDO1KCNH2
SCHEMBL22685173 0.73 IDO1 (0.42) WDR91PDE2AIDO1
SCHEMBL22685330 0.73 CXCR3 (0.42) PDE2A

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