SCHEMBL29506978

SCHEMBL29506978

OCc1cc(Br)c2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 7/20 0.50
▸ AHR P35869 3/20 0.46
▸ CSNK2A1 P68400 1/20 0.38
▸ CYP2A6 P11509 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TPX2 Q9ULW0 1/20 0.33
▸ MTOR P42345 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ATR Q13535 2/20 0.31

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
SCHEMBL21439156 1.00 RHEB (0.50) RHEBAHRCSNK2A1CYP2A6NR4A2
SCHEMBL9333607 0.79 RHEB (0.51) RHEBAURKATPX2MTORACHE
SCHEMBL31589082 0.79 RHEB (0.51) RHEBAURKATPX2MTORACHE
SCHEMBL25080566 0.78 RHEB (0.50) RHEBAURKATPX2MTORBRD4
SCHEMBL31274981 0.77 PARP1 (0.50) RHEBCHEK1BRD4
SCHEMBL29644241 0.74 AHR (0.54) RHEBAHRCSNK2A1CYP2A6NR4A2
SCHEMBL1020056 0.74 AHR (0.54) RHEBAHRCSNK2A1CYP2A6NR4A2
SCHEMBL6862874 0.71 RHEB (0.48) RHEB
SCHEMBL1020339 0.71 RHEB (0.50) RHEBAHRCSNK2A1CYP2A6NR4A2
SCHEMBL1431448 0.71 RHEB (0.50) RHEBAHRCSNK2A1CYP2A6NR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 — — EP disclosed
WO-2022069520-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-04-07 — — WO disclosed
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