SCHEMBL26622003

SCHEMBL26622003

CCOC(=O)c1cc2c(Br)c(C)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.45
KDM4E B2RXH2 5/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL31081197 0.87 MAPT (0.46) PTPN2KDM4ETSHRHSD17B10JAK2
SCHEMBL828767 0.85 CSNK2A2 (0.44) PTPN2KDM4EHSD17B10HDAC3HDAC4
SCHEMBL26621990 0.85 MAPT (0.50) PTPN2KDM4ETSHRHSD17B10JAK2
SCHEMBL32672220 0.83 MAPK14 (0.45) PTPN2KDM4ETSHRHSD17B10JAK2
SCHEMBL18069891 0.83 PTPN2 (0.48) PTPN2KDM4ETSHRHSD17B10JAK2
SCHEMBL3822544 0.81 ICAM1 (0.41) PTPN2KDM4EHSD17B10HDAC3HDAC4
SCHEMBL21505451 0.80 KDM4E (0.46) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL30640499 0.80 KDM4E (0.46) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL17080891 0.80 SLC9A1 (0.53) PTPN2KDM4ETSHRHSD17B10JAK2
SCHEMBL9612657 0.79 SLC9A1 (0.56) KDM4ETSHRHSD17B10JAK2JAK1

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
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed