SCHEMBL31106092

SCHEMBL31106092

Cc1cn(CC(=O)OC(C)(C)C)nc1Nc1ncc(C(=O)Nc2c(Br)ccc3c2cnn3C2CCCCO2)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.35
▸ LCK P06239 8/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ HCK P08631 4/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ SIK1 P57059 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ BTK Q06187 2/20 0.31

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
SCHEMBL31106170 0.94 KRAS (0.36) KRASLCKMAPK14HCKABL1
SCHEMBL31106079 0.85 LCK (0.38) LCKMAPK14HCKABL1SRC
SCHEMBL31105882 0.84 LCK (0.38) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105877 0.82 LCK (0.37) KRASLCKMAPK14HCKABL1
SCHEMBL31105878 0.81 HCK (0.39) LCKMAPK14HCKABL1SIK1
SCHEMBL31106084 0.81 LCK (0.36) KRASLCKMAPK14HCKABL1
SCHEMBL31105995 0.81 LCK (0.37) LCKMAPK14HCKABL1SRC
SCHEMBL31106147 0.78 HCK (0.39) LCKMAPK14HCKABL1SRC
SCHEMBL31105951 0.78 LCK (0.43) LCKMAPK14HCKABL1SRC
SCHEMBL31105897 0.77 RXRA (0.40) LCKMAPK14HCKSRCMAPK13

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-2024184520-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 — — WO disclosed
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