SCHEMBL21048804

SCHEMBL21048804

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BAZ2B Q9UIF8 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
SCHEMBL21048954 0.91 LMNA (0.38) JAK2JAK1TYK2JAK3HTT
SCHEMBL21048852 0.86 ALDH1A1 (0.42) JAK2JAK1TYK2JAK3HTT
SCHEMBL21048808 0.85 TP53 (0.44) JAK2JAK1TYK2JAK3TP53
SCHEMBL21048855 0.84 JAK2 (0.44) JAK2JAK1TYK2JAK3HTT
SCHEMBL21048857 0.78 HTT (0.39) JAK2JAK1TYK2JAK3HTT
SCHEMBL5015072 0.77 NPC1 (0.54) HTTTP53LMNAHSP90AA1GAA
SCHEMBL17258976 0.76 TP53 (0.42) JAK2TYK2JAK3TP53KDM4A
SCHEMBL21048924 0.75 HSD17B10 (0.42) HTTTP53LMNAHSP90AA1GAA
SCHEMBL17258776 0.74 JAK2 (0.42) JAK2JAK1TYK2JAK3TP53
SCHEMBL31705342 0.74 KDM4A (0.44) GAAKDM4AALDH1A1NQO2KCNA5

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