SCHEMBL30468824

SCHEMBL30468824

Cc1c(Br)cc(C(F)F)c2cn[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ NOS1 P29475 2/20 0.32
▸ AXL P30530 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 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
SCHEMBL24494919 1.00 HTT (0.33) HTTPTK2NOS1AXLMETAP2
SCHEMBL29366423 0.78 HTT (0.38) HTTPTK2NOS1AXLMETAP2
SCHEMBL22805892 0.78 HTT (0.38) HTTPTK2NOS1AXLMETAP2
SCHEMBL26650949 0.77 AXL (0.39) HTTPTK2NOS1AXLMETAP2
SCHEMBL29831022 0.77 AXL (0.39) HTTPTK2NOS1AXLMETAP2
SCHEMBL22805867 0.75 NOS1 (0.38) HTTPTK2NOS1AXLIDO1
SCHEMBL31393062 0.75 NOS1 (0.38) HTTPTK2NOS1AXLIDO1
SCHEMBL22805267 0.70 HTT (0.38) HTTPTK2NOS1AXLMETAP2
SCHEMBL29366601 0.70 HTT (0.38) HTTPTK2NOS1AXLMETAP2
SCHEMBL20656567 0.70 ALDH1A1 (0.39) HTTTRPA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522113-A1 COMBINATION OF ALLOSTERIC AND ORTHOSTERIC EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-03-19 — — EP disclosed
CN-119173518-A Indazole derivatives 豪夫迈·罗氏有限公司 2024-12-20 — — CN disclosed
CN-119173253-A Combination of allosteric and orthosteric EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2024-12-20 — — CN disclosed
WO-2023217924-A1 COMBINATION OF ALLOSTERIC AND ORTHOSTERIC EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-11-16 — — WO disclosed
CN-116600806-A Indazole derivatives 豪夫迈·罗氏有限公司 2023-08-15 — — CN disclosed
CN-116490182-A Indazole acetylene derivatives 豪夫迈·罗氏有限公司 2023-07-25 — — CN disclosed
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