SCHEMBL31105942

SCHEMBL31105942

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2ccc(C(=O)O)cn2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 14/20 0.42
▸ MAPK14 Q16539 4/20 0.39
▸ HCK P08631 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ BTK Q06187 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL31106019 0.90 LCK (0.45) LCKMAPK14HCKSRCMAPK13
SCHEMBL31106051 0.87 MAPK14 (0.46) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105865 0.87 LCK (0.46) LCKMAPK14HCKSRCMAPK13
SCHEMBL31705188 0.85 LCK (0.52) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105889 0.84 HCK (0.44) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105912 0.83 MAPK14 (0.50) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105903 0.83 LCK (0.38) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105895 0.83 LCK (0.44) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105893 0.83 LCK (0.41) LCKMAPK14HCKSRCMAPK13
SCHEMBL31105951 0.81 LCK (0.43) 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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