SCHEMBL6920368

SCHEMBL6920368

CCS(=O)(=O)Nc1cc(-n2ncc(=O)[nH]c2=O)c(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.35
JAK1 P23458 5/20 0.35
TYK2 P29597 5/20 0.35
JAK3 P52333 5/20 0.35
PSIP1 O75475 1/20 0.35
PGR P06401 2/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
P2RX7 Q99572 3/20 0.32
BRAF P15056 1/20 0.31
BRD4 O60885 3/20 0.30
NR3C1 P04150 1/20 0.30
AR P10275 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL6175493 0.84 PGR (0.41) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL6922734 0.82 PSIP1 (0.35) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL6921397 0.70 PPOX (0.34) BRD4
SCHEMBL7987004 0.67 PSIP1 (0.33) PSIP1PGRBRD4
SCHEMBL6662068 0.67 PSIP1 (0.47) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL6174842 0.67 PGR (0.41) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL10521335 0.66 PSIP1 (0.36) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL10612189 0.66 L3MBTL1 (0.43)
SCHEMBL31047810 0.65 PSIP1 (0.51) JAK2JAK1TYK2JAK3PSIP1
SCHEMBL6174302 0.65 MEN1 (0.39) PGRNR3C1AREGLN1

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-2004048348-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI) ONES USED AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-06-10 WO disclosed