SCHEMBL29478835

SCHEMBL29478835

Cc1cc2cn[nH]c2c(Br)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ NOS1 P29475 4/20 0.40
▸ HTT P42858 2/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ METAP2 P50579 2/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ IL1B P01584 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
SCHEMBL24373741 1.00 MAPT (0.42) MAPTNOS1HTTPTK2TRPA1
SCHEMBL16646937 0.82 MAPT (0.46) MAPTNOS1HTTPTK2TRPA1
SCHEMBL29344562 0.78 TRPA1 (0.45) MAPTNOS1HTTPTK2TRPA1
SCHEMBL31217276 0.76 CYP1A2 (0.51) MAPTNOS1CYP1A2ALDH1A1L3MBTL1
SCHEMBL16061625 0.74 MAPT (0.61) MAPTNOS1HTTPTK2TRPA1
SCHEMBL14500106 0.74 NOS1 (0.50) MAPTNOS1HTTPTK2TRPA1
SCHEMBL1145088 0.74 NOS1 (0.46) MAPTNOS1HTTPTK2TRPA1
SCHEMBL23564658 0.74 MAPT (0.43) MAPTNOS1HTTPTK2TRPA1
SCHEMBL17030762 0.74 MAPT (0.40) MAPTNOS1HTTPTK2TRPA1
SCHEMBL17099469 0.71 NOS1 (0.41) MAPTNOS1HTTPTK2TRPA1

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-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 — — EP disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — WO disclosed
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