SCHEMBL30636748

SCHEMBL30636748

CCCS(=O)(=O)Nc1ccc(F)c(Cc2n[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 12/20 0.60
BRAF P15056 5/20 0.59
RIPK2 O43353 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
KRAS P01116 1/20 0.59
RAF1 P04049 1/20 0.59
PGR P06401 1/20 0.59
RET P07949 1/20 0.59
CHRM2 P08172 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ARAF P10398 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
FECH P22830 1/20 0.59
KDR P35968 1/20 0.59
MAP2K2 P36507 1/20 0.59
TGFBR2 P37173 1/20 0.59
NEK2 P51955 1/20 0.59
MAP2K1 Q02750 1/20 0.59

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
SCHEMBL23098869 1.00 MAP2K4 (0.60) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL995658 0.84 BRAF (0.68) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL30636737 0.82 MAP2K4 (0.60) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL23098868 0.82 MAP2K4 (0.60) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL21223100 0.82 MAP2K4 (0.59) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL23098909 0.81 MAP2K4 (0.68) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL23098881 0.81 MAP2K4 (0.61) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL21222990 0.81 MAP2K4 (0.75) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL21222883 0.80 MAP2K4 (0.60) MAP2K4BRAFRIPK2ABCB11EGFR
SCHEMBL21223009 0.80 MAP2K4 (0.58) MAP2K4BRAFRIPK2ABCB11EGFR

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-111788195-B Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2023-11-21 CN disclosed