SCHEMBL31105893

SCHEMBL31105893

Cc1ccc2c(cnn2C2CCCCO2)c1NC(=O)c1cnc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 11/20 0.41
▸ MAPK14 Q16539 6/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ POLQ O75417 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ BCAT2 O15382 1/20 0.34

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) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31105962 0.89 LCK (0.41) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31105912 0.88 MAPK14 (0.50) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31705188 0.86 LCK (0.52) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31105951 0.85 LCK (0.43) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27227895 0.84 RXRA (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31105942 0.83 LCK (0.42) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31106019 0.82 LCK (0.45) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31106051 0.82 MAPK14 (0.46) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31106070 0.81 LCK (0.43) LCKCYP4F2CYP4A11RXRARXRB

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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