SCHEMBL31105897

SCHEMBL31105897

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ LCK P06239 5/20 0.35
▸ CYP4F2 P78329 3/20 0.34
▸ CYP4A11 Q02928 3/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL31105893 0.90 LCK (0.41) RXRARXRBRXRGLCKCYP4F2
SCHEMBL31105962 0.90 LCK (0.41) RXRARXRBRXRGLCKCYP4F2
SCHEMBL31105920 0.86 LCK (0.37) RXRARXRBRXRGLCKCYP4F2
SCHEMBL31106147 0.82 HCK (0.39) RXRARXRBRXRGLCKMAPK14
SCHEMBL31106032 0.81 HCK (0.38) RXRARXRBRXRGLCKMAPK14
SCHEMBL31105912 0.78 MAPK14 (0.50) RXRARXRBRXRGLCKCYP4F2
SCHEMBL31106108 0.78 CYP4F2 (0.37) RXRARXRBRXRGLCKCYP4F2
SCHEMBL31705188 0.77 LCK (0.52) LCKMAPK14MAPK13EGFRFYN
SCHEMBL1141295 0.76 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31105951 0.76 LCK (0.43) LCKMAPK14MAPK13EGFRFYN

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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