SCHEMBL31106084

SCHEMBL31106084

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 13/20 0.36
▸ MAPK14 Q16539 6/20 0.35
▸ HCK P08631 3/20 0.35
▸ SRC P12931 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ BTK Q06187 3/20 0.33
▸ ABL1 P00519 1/20 0.32

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 0.87 KRAS (0.36) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105951 0.84 LCK (0.43) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105877 0.82 LCK (0.37) LCKMAPK14HCKSRCMAPK13
SCHEMBL31106079 0.82 LCK (0.38) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105882 0.82 LCK (0.38) LCKMAPK14HCKSRCMAPK13
SCHEMBL31106092 0.81 KRAS (0.35) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105995 0.81 LCK (0.37) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105912 0.78 MAPK14 (0.50) LCKMAPK14HCKSRCMAPK13
SCHEMBL31052450 0.77 LCK (0.39) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105893 0.77 LCK (0.41) 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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