SCHEMBL21048835

SCHEMBL21048835

CCN(c1ccc(F)cc1CNC(=O)O)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.44
JAK1 P23458 6/20 0.44
TYK2 P29597 6/20 0.44
JAK3 P52333 6/20 0.44
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.38
DDR1 Q08345 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PTGER1 P34995 1/20 0.36
MEN1 O00255 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21048855 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21048821 0.85 ALDH1A1 (0.49) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21048789 0.84 JAK2 (0.43) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21048810 0.82 GAA (0.47) TSHRTP53NPC1RAB9AALDH1A1
SCHEMBL21048978 0.81 TP53 (0.52) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21048903 0.78 DPP4 (0.42) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL7554663 0.74 LMNA (0.44) KMT2AL3MBTL1TSHRMAPK1KDM4E
SCHEMBL21048804 0.72 JAK2 (0.41) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21048857 0.71 HTT (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL17258939 0.71 TP53 (0.50) JAK2JAK1TYK2JAK3KMT2A

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