SCHEMBL25453060

SCHEMBL25453060

Cc1cc(Cl)c2c(c1)CN(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ DPP4 P27487 1/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HRH4 Q9H3N8 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ BCL2A1 Q16548 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
SCHEMBL31543992 0.84 BRD4 (0.41) PARP1DPP4HTR2CHTR2AHTR2B
SCHEMBL29099572 0.84 BRD4 (0.41) PARP1DPP4HTR2CHTR2AHTR2B
SCHEMBL24649692 0.81 HTR2A (0.43) PARP1HTR2CHTR2AHTR2BPIK3CG
SCHEMBL25453058 0.79 PARP1 (0.37) PARP1HTR2CHTR2AHTR2BBRD4
SCHEMBL25453054 0.79 PARP1 (0.37) PARP1HTR2CHTR2AHTR2B
SCHEMBL26667753 0.75 PARP1 (0.37) PARP1LRRK2L3MBTL1BCL2A1
SCHEMBL14996503 0.73 PARP1 (0.57) PARP1HTR2CHTR2AHTR2BBRD4
SCHEMBL31735456 0.73 BRD4 (0.55) PIK3CGBRD4
SCHEMBL29209082 0.71 BRD4 (0.42) PARP1HTR2CHTR2AHTR2BPIK3CG
SCHEMBL26667749 0.71 DPP4 (0.37) DPP4LRRK2MEN1KMT2A

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-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
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