SCHEMBL16144755

SCHEMBL16144755

CC(C)CNC(=S)N1CCN(c2ncnc3[nH]ccc23)C[C@@H]2CCC21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.49
JAK3 P52333 5/20 0.49
DOT1L Q8TEK3 2/20 0.46
LCK P06239 1/20 0.46
AKT2 P31751 2/20 0.45
GSK3B P49841 2/20 0.45
JAK2 O60674 4/20 0.45
JAK1 P23458 1/20 0.44
KIT P10721 1/20 0.44

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
SCHEMBL10316976 0.80 JAK3 (0.50) BTKJAK3DOT1LLCKAKT2
SCHEMBL1045812 0.80 JAK3 (0.50) BTKJAK3DOT1LLCKAKT2
SCHEMBL16144729 0.73 JAK3 (0.49) JAK3DOT1LJAK2JAK1
SCHEMBL20411169 0.69 JAK3 (0.67) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL19011936 0.69 JAK3 (0.70) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL20411181 0.69 JAK3 (0.67) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL2021046 0.67 JAK3 (0.71) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL2021330 0.67 JAK3 (1.00) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL2021049 0.67 JAK3 (0.71) JAK3DOT1LLCKAKT2GSK3B
SCHEMBL10079358 0.67 JAK3 (1.00) JAK3DOT1LLCKAKT2GSK3B

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
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP disclosed