SCHEMBL21048878

SCHEMBL21048878

CCCCN(c1ccccc1CNC)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.44
TYK2 P29597 6/20 0.44
JAK3 P52333 6/20 0.44
JAK1 P23458 5/20 0.44
PER2 O15055 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL17258994 0.85 ALDH1A1 (0.42) JAK2TYK2JAK3JAK1ALDH1A1
SCHEMBL28840926 0.84 TP53 (0.48) JAK2TYK2JAK3JAK1TP53
SCHEMBL17258776 0.78 JAK2 (0.42) JAK2TYK2JAK3JAK1TP53
SCHEMBL1290793 0.76 ESR1 (0.52) PER2ALDH1A1TDP1ESR1MEN1
SCHEMBL14479721 0.75 CLK2 (0.49) JAK2JAK3ALDH1A1MEN1KMT2A
SCHEMBL17258939 0.75 TP53 (0.50) JAK2TYK2JAK3JAK1ALDH1A1
Trifluoroacetic Acid SCHEMBL17258792 0.73 JAK2 (0.40) JAK2TYK2JAK3JAK1PER2
SCHEMBL14820 0.72 ESR1 (0.60) PER2TDP1ESR1MEN1KMT2A
SCHEMBL10993904 0.70 ESR1 (0.43) TDP1ESR1L3MBTL1NR1I2
SCHEMBL19337065 0.70 ALDH1A1 (0.47) JAK2TYK2JAK3JAK1ALDH1A1

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed