SCHEMBL31105877

SCHEMBL31105877

COCCn1cc(C)c(Nc2ncc(C(=O)Nc3c(C)ccc4c3cnn4C3CCCCO3)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 11/20 0.37
▸ MAPK14 Q16539 4/20 0.36
▸ HCK P08631 4/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ BTK Q06187 3/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ DDR2 Q16832 1/20 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
SCHEMBL31106079 0.90 LCK (0.38) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105882 0.90 LCK (0.38) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105995 0.89 LCK (0.37) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31106170 0.88 KRAS (0.36) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31106084 0.82 LCK (0.36) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31106092 0.82 KRAS (0.35) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105912 0.81 MAPK14 (0.50) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105889 0.80 HCK (0.44) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105893 0.79 LCK (0.41) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105951 0.79 LCK (0.43) LCKMAPK14HCKMAPK13EGFR

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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