SCHEMBL21048873

SCHEMBL21048873

CCN(c1ncc(C)cc1CNC(=O)O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.46
JAK1 P23458 6/20 0.46
TYK2 P29597 6/20 0.46
JAK3 P52333 6/20 0.46
PTK2 Q05397 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21048923 0.84 PTK2 (0.49) JAK2JAK1TYK2JAK3PTK2
Hydrochloric Acid SCHEMBL21048890 0.79 JAK2 (0.38) JAK2JAK1TYK2JAK3PTK2
SCHEMBL21048855 0.76 JAK2 (0.44) JAK2JAK1TYK2JAK3NPC1
SCHEMBL21048922 0.72 EPHX2 (0.36) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL21048978 0.70 TP53 (0.52) JAK2JAK1TYK2JAK3NPC1
SCHEMBL21048821 0.69 ALDH1A1 (0.49) JAK2JAK1TYK2JAK3POLB
SCHEMBL21048871 0.69 KDM4E (0.39) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL21048835 0.69 JAK2 (0.44) JAK2JAK1TYK2JAK3NPC1
Acetic Acid SCHEMBL1627880 0.66 PTK2 (0.43) JAK2JAK1TYK2JAK3PTK2
SCHEMBL21193073 0.64 TRPM8 (0.36) PTK2POLBTRPM8ALDH1A1KDM4E

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