SCHEMBL29999955

SCHEMBL29999955

COc1ccc(CNc2nccc(C(F)F)c2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CCNB2 O95067 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCNB3 Q8WWL7 2/20 0.45
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CLK1 P49759 2/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL27089006 1.00 NPC1 (0.47) NPC1MEN1KMT2AMAPTGAA
SCHEMBL27088883 0.85 NPC1 (0.47) NPC1MEN1KMT2AMAPTCLK4
SCHEMBL29998943 0.85 NPC1 (0.47) NPC1MEN1KMT2AMAPTCLK4
SCHEMBL29999499 0.82 NPC1 (0.58) NPC1MEN1KMT2AMAPTCLK4
SCHEMBL29999532 0.81 KDM4E (0.56) NPC1GAACLK4CDK1CCNB2
SCHEMBL27089388 0.81 KDM4E (0.56) NPC1GAACLK4CDK1CCNB2
SCHEMBL27088659 0.79 CCNE2 (0.46) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL6131117 0.74 NPC1 (0.62) NPC1MEN1KMT2AMAPTGAA
SCHEMBL21682105 0.72 MEN1 (0.47) NPC1MEN1KMT2AMAPTGAA
SCHEMBL31123749 0.72 MEN1 (0.47) NPC1MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 — — EP disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 — — WO disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 — — CN disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — WO disclosed
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