SCHEMBL29762385

SCHEMBL29762385

CC(=O)Nc1cc(I)cc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.59
ADORA1 P30542 8/20 0.59
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3R1 P27986 2/20 0.48
PIK3CA P42336 7/20 0.45
KCNH2 Q12809 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CB P42338 4/20 0.43
PIK3CD O00329 3/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 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
SCHEMBL23274769 1.00 ADORA2A (0.59) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23299959 0.85 ADORA2A (0.63) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL29762432 0.85 ADORA2A (0.44) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23274660 0.85 ADORA2A (0.44) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23275363 0.84 ADORA2A (0.59) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL31111409 0.84 ADORA2A (0.59) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL29762439 0.82 ADORA2A (0.43) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23274236 0.82 ADORA2A (0.43) ADORA2AADORA1KDM4EMEN1ALDH1A1
SCHEMBL23299941 0.81 HTT (0.45) KDM4EMEN1ALDH1A1GAATHRB
SCHEMBL23275325 0.78 KMT2A (0.43) KDM4EMEN1ALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845711-B Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-10-01 CN disclosed
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 EP disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed