SCHEMBL30868089

SCHEMBL30868089

CC1CCC(c2cnc(N)c(F)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH1 P35367 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
RET P07949 1/20 0.32
AHCY P23526 1/20 0.32
MAPK1 P28482 2/20 0.31
ADRB3 P13945 1/20 0.30

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
SCHEMBL16908273 0.85 KDM4E (0.38) HRH4HRH3HRH1RETMAPK1
SCHEMBL30867934 0.78 PDGFRB (0.41) HRH4HRH3HRH1MAPK1
SCHEMBL31648987 0.77 PSMB5 (0.40) HRH4HRH3HRH1MAPK1
SCHEMBL14926882 0.68 USP7 (0.31)
SCHEMBL13753918 0.68 ESR2 (0.34) ADRB3ADRA1DSLC6A4ABATDHODH
SCHEMBL16456396 0.68 TNKS (0.50) RETMAPK1
SCHEMBL21446933 0.67 ADRB3 (0.39) ABL1ADRB3ADRA1DSLC6A4ABAT
SCHEMBL21712544 0.67 KDM4E (0.38) HRH4HRH3HRH1MAPK1
SCHEMBL14825019 0.67 DDB1 (0.40)
SCHEMBL16456371 0.67 TNKS (0.52) MAPK1

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-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed