SCHEMBL31105962

SCHEMBL31105962

O=C(Nc1c(Cl)ccc2c1cnn2C1CCCCO1)c1cnc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 11/20 0.41
▸ MAPK14 Q16539 6/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ POLQ O75417 1/20 0.33

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
SCHEMBL31105897 0.90 RXRA (0.40) LCKMAPK14RXRARXRBRXRG
SCHEMBL31105893 0.89 LCK (0.41) LCKMAPK14RXRARXRBRXRG
SCHEMBL31105927 0.80 HCK (0.44) LCKMAPK14RXRARXRBRXRG
SCHEMBL19949097 0.77 RXRA (0.43) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31105912 0.77 MAPK14 (0.50) LCKMAPK14RXRARXRBRXRG
SCHEMBL31105920 0.77 LCK (0.37) LCKMAPK14RXRARXRBRXRG
SCHEMBL31705188 0.76 LCK (0.52) LCKMAPK14MAPK13EGFRFYN
SCHEMBL21195976 0.75 RXRA (0.46) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL31106108 0.75 CYP4F2 (0.37) LCKMAPK14RXRARXRBRXRG
SCHEMBL31106070 0.74 LCK (0.43) LCKRXRARXRBRXRGCYP4F2

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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