SCHEMBL31106079

SCHEMBL31106079

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 13/20 0.38
▸ MAPK14 Q16539 4/20 0.37
▸ HCK P08631 4/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ BTK Q06187 3/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 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
SCHEMBL31105882 0.94 LCK (0.38) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31106170 0.91 KRAS (0.36) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105995 0.90 LCK (0.37) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105877 0.90 LCK (0.37) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105889 0.89 HCK (0.44) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105903 0.85 LCK (0.38) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31106092 0.85 KRAS (0.35) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105912 0.82 MAPK14 (0.50) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31705188 0.81 LCK (0.52) LCKMAPK14HCKMAPK13EGFR
SCHEMBL31105893 0.80 LCK (0.41) 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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