SCHEMBL30508645

SCHEMBL30508645

CC1(C)OB(c2cc(F)cnc2Cl)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ EGFR P00533 4/20 0.36
▸ CXCR2 P25025 3/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ LIPE Q05469 2/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ JAK2 O60674 2/20 0.30
▸ BTK Q06187 2/20 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
SCHEMBL15392968 1.00 LPL (0.38) LPLLIPGEGFRCXCR2IDO1
SCHEMBL15393439 0.84 LPL (0.41) LPLLIPGEGFRCXCR2IDO1
SCHEMBL17752336 0.81 LPL (0.39) LPLLIPGEGFRCXCR2IDO1
SCHEMBL31378591 0.81 LPL (0.39) LPLLIPGEGFRCXCR2IDO1
SCHEMBL21911080 0.80 LPL (0.38) LPLLIPGCXCR2IDO1TDO2
SCHEMBL24587207 0.78 LPL (0.36) LPLLIPGCXCR2IDO1TDO2
SCHEMBL18865569 0.78 LPL (0.36) LPLLIPGCXCR2LIPEJAK2
SCHEMBL25426698 0.78 LPL (0.36) LPLLIPGCXCR2LIPE
SCHEMBL30510470 0.78 LPL (0.36) LPLLIPGCXCR2LIPE
SCHEMBL2453019 0.78 LPL (0.36) LPLLIPGEGFRCXCR2LIPE

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-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 — — EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — WO disclosed
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