SCHEMBL31105889

SCHEMBL31105889

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2ccn(CC(=O)O)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 4/20 0.44
▸ BTK Q06187 3/20 0.44
▸ LCK P06239 13/20 0.38
▸ MAPK14 Q16539 3/20 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
▸ ABL1 P00519 1/20 0.36
▸ SIK1 P57059 1/20 0.36
▸ SIK2 Q9H0K1 1/20 0.36
▸ SIK3 Q9Y2K2 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36

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
SCHEMBL31105927 0.91 HCK (0.44) HCKBTKLCKMAPK14MAPK13
SCHEMBL31106147 0.91 HCK (0.39) HCKBTKLCKMAPK14SRC
SCHEMBL31105863 0.91 HCK (0.45) HCKBTKLCKABL1
SCHEMBL31106079 0.89 LCK (0.38) HCKBTKLCKMAPK14MAPK13
SCHEMBL31105903 0.88 LCK (0.38) HCKBTKLCKMAPK14MAPK13
SCHEMBL31105878 0.85 HCK (0.39) HCKBTKLCKMAPK14JAK3
SCHEMBL31106032 0.84 HCK (0.38) HCKBTKLCKMAPK14MAPK13
SCHEMBL31105942 0.84 LCK (0.42) HCKBTKLCKMAPK14MAPK13
SCHEMBL31105895 0.84 LCK (0.44) HCKBTKLCKMAPK14MAPK13
SCHEMBL31105912 0.82 MAPK14 (0.50) HCKBTKLCKMAPK14MAPK13

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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