SCHEMBL31106147

SCHEMBL31106147

O=C(O)Cn1ccc(Nc2ncc(C(=O)Nc3c(Br)ccc4c3cnn4C3CCCCO3)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 3/20 0.39
▸ BTK Q06187 3/20 0.38
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ SIK1 P57059 3/20 0.35
▸ SIK2 Q9H0K1 3/20 0.35
▸ SIK3 Q9Y2K2 3/20 0.35
▸ LCK P06239 10/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ GCK P35557 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL31106032 0.93 HCK (0.38) HCKBTKRXRARXRBRXRG
SCHEMBL31105927 0.91 HCK (0.44) HCKBTKRXRARXRBRXRG
SCHEMBL31105889 0.91 HCK (0.44) HCKBTKRXRARXRBRXRG
SCHEMBL31105878 0.91 HCK (0.39) HCKBTKABL1SIK1SIK2
SCHEMBL31105863 0.82 HCK (0.45) HCKBTKABL1LCK
SCHEMBL31105897 0.82 RXRA (0.40) HCKRXRARXRBRXRGLCK
SCHEMBL31106079 0.80 LCK (0.38) HCKBTKRXRARXRBRXRG
SCHEMBL31105903 0.79 LCK (0.38) HCKBTKRXRARXRBRXRG
SCHEMBL31106092 0.78 KRAS (0.35) HCKBTKABL1SIK1SIK2
SCHEMBL31105893 0.74 LCK (0.41) HCKRXRARXRBRXRGLCK

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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