SCHEMBL22685245

SCHEMBL22685245

N#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C(F)(F)F)cc4N)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.41
▸ MINK1 Q8N4C8 2/20 0.41
▸ TNIK Q9UKE5 2/20 0.41
▸ EGLN1 Q9GZT9 10/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ KDM1A O60341 1/20 0.38
▸ DEGS1 O15121 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ FASN P49327 1/20 0.37

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
SCHEMBL22685073 0.92 IDO1 (0.41) MAP4K4MINK1TNIKEGLN1KDM1A
SCHEMBL22438817 0.87 EGLN1 (0.41) MAP4K4MINK1TNIKEGLN1CXCR3
SCHEMBL22438754 0.86 FASN (0.43) MAP4K4MINK1TNIKEGLN1CXCR3
SCHEMBL30070801 0.86 FASN (0.43) MAP4K4MINK1TNIKEGLN1CXCR3
SCHEMBL23908259 0.85 IDO1 (0.45) MAP4K4MINK1TNIKEGLN1CYP2C9
SCHEMBL22685247 0.85 ROCK2 (0.41) MAP4K4DEGS1CYP2C9IDO1PDE2A
SCHEMBL22438887 0.85 CYP2C9 (0.53) MAP4K4MINK1TNIKEGLN1CXCR3
SCHEMBL22685250 0.83 PTPN1 (0.40) EGLN1CYP2C9IDO1PDE2A
SCHEMBL22438916 0.83 ROCK2 (0.47) MAP4K4MINK1TNIKEGLN1CYP2C9
SCHEMBL22685330 0.83 CXCR3 (0.42) MAP4K4MINK1TNIKEGLN1CXCR3

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
Send feedback