SCHEMBL31106170

SCHEMBL31106170

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.36
▸ LCK P06239 12/20 0.36
▸ HCK P08631 5/20 0.35
▸ MAPK14 Q16539 4/20 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
▸ ABL1 P00519 1/20 0.33
▸ BTK Q06187 4/20 0.33

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
SCHEMBL31106092 0.94 KRAS (0.35) KRASLCKHCKMAPK14SRC
SCHEMBL31106079 0.91 LCK (0.38) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105882 0.90 LCK (0.38) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105877 0.88 LCK (0.37) KRASLCKHCKMAPK14SRC
SCHEMBL31106084 0.87 LCK (0.36) KRASLCKHCKMAPK14SRC
SCHEMBL31105995 0.86 LCK (0.37) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105951 0.84 LCK (0.43) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105889 0.80 HCK (0.44) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105912 0.79 MAPK14 (0.50) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105893 0.77 LCK (0.41) LCKHCKMAPK14SRCMAPK13

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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