SCHEMBL21048923

SCHEMBL21048923

Cc1cnc(N(C)S(C)(=O)=O)c(CNC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.49
JAK2 O60674 6/20 0.44
JAK1 P23458 6/20 0.44
TYK2 P29597 6/20 0.44
JAK3 P52333 6/20 0.44
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SRPK2 P78362 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21048873 0.84 JAK2 (0.46) PTK2JAK2JAK1TYK2JAK3
Acetic Acid SCHEMBL1627880 0.81 PTK2 (0.43) PTK2JAK2JAK1TYK2JAK3
SCHEMBL12409792 0.79 PTK2 (0.43) PTK2JAK2JAK1TYK2JAK3
SCHEMBL1230899 0.78 PTK2 (0.55) PTK2SRPK2SRPK1
Hydrochloric Acid SCHEMBL21048756 0.77 PTK2 (0.43) PTK2JAK2JAK1TYK2JAK3
SCHEMBL21048880 0.75 ALDH1A1 (0.48) PTK2JAK2JAK1TYK2JAK3
SCHEMBL21048922 0.71 EPHX2 (0.36) ALDH1A1LMNA
SCHEMBL17258893 0.69 ALDH1A1 (0.53) PTK2JAK2ALDH1A1MEN1KMT2A
SCHEMBL21048871 0.68 KDM4E (0.39) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL21048789 0.68 JAK2 (0.43) PTK2JAK2JAK1TYK2JAK3

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