SCHEMBL30866641

SCHEMBL30866641

O=C(c1c(F)ccc(NS(=O)(=O)Cc2ccc(F)cc2)c1F)c1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.77
RIPK2 O43353 2/20 0.77
RAF1 P04049 2/20 0.77
KDR P35968 2/20 0.77
MAP2K2 P36507 2/20 0.77
TGFBR2 P37173 2/20 0.77
NEK2 P51955 2/20 0.77
MAP2K1 Q02750 2/20 0.77
TNK2 Q07912 2/20 0.77
MAP2K5 Q13163 2/20 0.77
PTK6 Q13882 2/20 0.77
NEK11 Q8NG66 2/20 0.77
MAP3K20 Q9NYL2 2/20 0.77
MAP4K5 Q9Y4K4 2/20 0.77
ABCB11 O95342 1/20 0.77
EGFR P00533 1/20 0.77
KRAS P01116 1/20 0.77
PGR P06401 1/20 0.77
RET P07949 1/20 0.77
CHRM2 P08172 1/20 0.77

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
SCHEMBL21624517 1.00 BRAF (0.77) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL21624471 0.94 BRAF (0.77) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL29725806 0.93 BRAF (0.77) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL20399240 0.93 BRAF (0.77) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL30866615 0.93 BRAF (0.68) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL21624520 0.93 BRAF (0.68) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL21624497 0.92 BRAF (0.74) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL30866645 0.92 BRAF (0.74) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL7876722 0.89 BRAF (0.89) BRAFRIPK2RAF1KDRMAP2K2
SCHEMBL21624490 0.88 BRAF (0.74) BRAFRIPK2RAF1KDRMAP2K2

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
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 CN disclosed