SCHEMBL31106172

SCHEMBL31106172

Cc1ccc2[nH]ncc2c1NC(=O)c1cnc(Nc2cccc(C(=O)N3CCCC3)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.47
▸ LYN P07948 1/20 0.47
▸ TXK P42681 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ LCK P06239 11/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SRC P12931 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ HCK P08631 3/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ITK Q08881 1/20 0.40

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
SCHEMBL31105890 0.79 BTK (0.47) BTKLYNTXKSYKMAPK14
SCHEMBL31105905 0.79 MAPK14 (0.41) BTKMAPK14LCKSRCABL1
SCHEMBL31706857 0.77 LCK (0.63) MAPK14LCKSRCABL1HCK
SCHEMBL31106086 0.76 LCK (0.47) MAPK14LCKSRCHCKMAPK13
SCHEMBL31106087 0.75 LCK (0.45) LYNMAPK14LCKSRCABL1
SCHEMBL31105892 0.74 LCK (0.48) BTKLYNMAPK14LCKSRC
SCHEMBL31106126 0.73 MAPK14 (0.61) MAPK14LCKSRCHCKMAPK13
SCHEMBL31106169 0.73 LCK (0.48) LYNMAPK14LCKSRCABL1
SCHEMBL20530776 0.72 MAPK14 (0.64) BTKLYNMAPK14LCKSRC
SCHEMBL20530773 0.72 MAPK14 (0.64) BTKLYNMAPK14LCKSRC

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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