SCHEMBL25925716

SCHEMBL25925716

Cc1cc(Br)cnc1N1CCOC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.42
▸ MTOR P42345 3/20 0.42
▸ C5AR1 P21730 1/20 0.38
▸ LATS1 O95835 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAP3K7 O43318 1/20 0.35
▸ FFAR2 O15552 4/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ PRKDC P78527 2/20 0.34
▸ GAK O14976 1/20 0.34

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
SCHEMBL25925650 0.85 FFAR2 (0.35) LRRK2FFAR2MAP3K12
SCHEMBL2712251 0.85 PIK3CA (0.44) PIK3CAMTORC5AR1LATS1LRRK2
SCHEMBL12235999 0.83 PIK3CA (0.47) PIK3CAMTORC5AR1LATS1LRRK2
SCHEMBL25931435 0.83 LRRK2 (0.44) PIK3CAMTORC5AR1LATS1LRRK2
SCHEMBL25930722 0.80 PIK3CA (0.37) PIK3CAMTORLATS1LRRK2PDE10A
SCHEMBL2712256 0.80 ALDH1A1 (0.45) PIK3CAMTORLATS1LRRK2SCN10A
SCHEMBL1707795 0.79 ALDH1A1 (0.44) PIK3CAMTORLRRK2PDE10A
SCHEMBL25925717 0.78 PIK3CA (0.39) PIK3CAMTORC5AR1LATS1LRRK2
SCHEMBL26040948 0.75 OPRK1 (0.36) PDE10A
SCHEMBL25932310 0.74 LATS1 (0.41) PIK3CAMTORC5AR1LATS1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 — — WO disclosed
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