SCHEMBL22685185

SCHEMBL22685185

Nc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3cccc4cn[nH]c34)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ MST1R Q04912 1/20 0.39
▸ PTK2 Q05397 1/20 0.39

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
SCHEMBL22685179 0.76 IDO1 (0.37) PDE2APTGER4PTGDRCYP2C9IDO1
SCHEMBL22685247 0.75 ROCK2 (0.41) MAP4K4ROCK1PDE2AHDAC3HDAC1
SCHEMBL22685245 0.75 MAP4K4 (0.41) MAP4K4PDE2ACYP2C9IDO1
SCHEMBL22685250 0.75 PTPN1 (0.40) RETROCK1PDE2AHDAC3HDAC1
SCHEMBL22685175 0.75 IDO1 (0.37) PDE2AHDAC3HDAC1PTGER4PTGDR
SCHEMBL22685074 0.70 IDO1 (0.51) MAP4K4PDE2AHDAC3HDAC1CYP2C9
SCHEMBL22685078 0.70 WDR91 (0.53) MAP4K4PDE2ACYP2C9IDO1
SCHEMBL22685072 0.70 IDO1 (0.43) PDE2AHDAC3HDAC1CYP2C9IDO1
SCHEMBL22685073 0.68 IDO1 (0.41) MAP4K4PDE2ACYP2C9IDO1
SCHEMBL22685177 0.67 IDO1 (0.42) MAP4K4IDO1

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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