SCHEMBL31105865

SCHEMBL31105865

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2cccc(C(=O)O)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 13/20 0.46
▸ BTK Q06187 5/20 0.43
▸ HCK P08631 5/20 0.42
▸ MAPK14 Q16539 4/20 0.42
▸ SRC P12931 3/20 0.42
▸ MAPK13 O15264 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ FYN P06241 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ MAPK11 Q15759 2/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ YES1 P07947 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ FGR P09769 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ BCR P11274 1/20 0.41

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
SCHEMBL31105895 0.89 LCK (0.44) LCKBTKHCKMAPK14SRC
SCHEMBL31105942 0.87 LCK (0.42) LCKBTKHCKMAPK14SRC
SCHEMBL31106019 0.86 LCK (0.45) LCKBTKHCKMAPK14SRC
SCHEMBL31106051 0.86 MAPK14 (0.46) LCKBTKHCKMAPK14SRC
SCHEMBL31105900 0.85 BTK (0.46) LCKBTKHCKSRCABL1
SCHEMBL31705188 0.84 LCK (0.52) LCKHCKMAPK14SRCMAPK13
SCHEMBL31105889 0.83 HCK (0.44) LCKBTKHCKMAPK14SRC
SCHEMBL31105912 0.82 MAPK14 (0.50) LCKBTKHCKMAPK14SRC
SCHEMBL31105903 0.82 LCK (0.38) LCKBTKHCKMAPK14SRC
SCHEMBL31105893 0.82 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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