SCHEMBL6922734

SCHEMBL6922734

CCS(=O)(=O)Nc1cc(-n2ncc(=O)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.35
PGR P06401 3/20 0.34
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
BRPF1 P55201 1/20 0.32
MAPK14 Q16539 1/20 0.32
HTR1A P08908 1/20 0.31
BRAF P15056 3/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
BRD4 O60885 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
SCHEMBL6921397 0.89 PPOX (0.34) MAPK14ALOX15TSHRBRD4
SCHEMBL6174842 0.84 PGR (0.41) PSIP1PGRJAK2JAK1TYK2
SCHEMBL6920368 0.82 JAK2 (0.35) PSIP1PGRJAK2JAK1TYK2
SCHEMBL10414302 0.75 PPOX (0.46) MAPK14BRD4
SCHEMBL7891358 0.74 L3MBTL1 (0.38) HTR1A
SCHEMBL7987004 0.74 PSIP1 (0.33) PSIP1PGRBRPF1BRD4
SCHEMBL6174205 0.72 PGR (0.34) PGRHTR1ABRD4
SCHEMBL10624240 0.68 L3MBTL1 (0.54) MAPK14
SCHEMBL6662068 0.67 PSIP1 (0.47) PSIP1PGRJAK2JAK1TYK2
SCHEMBL6175493 0.67 PGR (0.41) PSIP1PGRJAK2JAK1TYK2

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