SCHEMBL20156411

SCHEMBL20156411

C=C(CC)c1cc(C)c(CC2CCC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
FASN P49327 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL20156425 0.86 JAK2 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL23367734 0.84 JAK2 (0.31) JAK2JAK1TYK2JAK3
SCHEMBL18432591 0.75 PDGFRB (0.43) JAK2JAK1TYK2JAK3
SCHEMBL20156420 0.69 JAK2 (0.31) JAK2JAK1JAK3
SCHEMBL27470244 0.66 CYP3A4 (0.44)
SCHEMBL21451503 0.66 PDGFRB (0.38) JAK2JAK1TYK2JAK3
SCHEMBL26052577 0.66 CHRM1 (0.37)
SCHEMBL20123151 0.65 ALDH1A1 (0.35)
SCHEMBL19113576 0.64
SCHEMBL12489156 0.63 PDGFRB (0.40) JAK2JAK1TYK2JAK3

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed