SCHEMBL31105863

SCHEMBL31105863

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Nc2ccn(CC(=O)N3CCOCC3)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 8/20 0.45
▸ BTK Q06187 9/20 0.44
▸ LCK P06239 7/20 0.40
▸ F10 P00742 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ DDR2 Q16832 1/20 0.37
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL31105889 0.91 HCK (0.44) HCKBTKLCKABL1
SCHEMBL31105983 0.85 HCK (0.36) HCKBTKLCKF10ABL1
SCHEMBL31105907 0.84 BTK (0.48) HCKBTKLCK
SCHEMBL31106147 0.82 HCK (0.39) HCKBTKLCKABL1
SCHEMBL31105927 0.82 HCK (0.44) HCKBTKLCKABL1
SCHEMBL31105878 0.82 HCK (0.39) HCKBTKLCKABL1DDR1
SCHEMBL31106032 0.81 HCK (0.38) HCKBTKLCKABL1
SCHEMBL31105900 0.81 BTK (0.46) HCKBTKLCKABL1
SCHEMBL31105903 0.80 LCK (0.38) HCKBTKLCKABL1
SCHEMBL31105912 0.79 MAPK14 (0.50) HCKBTKLCK

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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