SCHEMBL22685316

SCHEMBL22685316

Nc1nc(OC(F)(F)F)ccc1-c1ccc(C2(NC(=O)c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 16/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ BTK Q06187 1/20 0.34
▸ KDR P35968 2/20 0.33
▸ TEK Q02763 2/20 0.33
▸ EPHB4 P54760 1/20 0.33

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
SCHEMBL22685327 0.91 PDE2A (0.39) PDE2ASCN10A
SCHEMBL22685324 0.90 WDR91 (0.40) PDE2ASCN10A
SCHEMBL22686783 0.77 WDR91 (0.42) BTK
SCHEMBL22685325 0.77 PDE2A (0.39) PDE2A
SCHEMBL22684799 0.76 IDO1 (0.39) PDE2A
SCHEMBL22685248 0.75 PTPN1 (0.39) PDE2ABTK
SCHEMBL22685266 0.74 PDE2A (0.40) PDE2A
SCHEMBL22685262 0.74 WDR91 (0.40) PDE2A
SCHEMBL22685330 0.73 CXCR3 (0.42) PDE2A
SCHEMBL22438947 0.70 HDAC1 (0.49) —

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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