SCHEMBL30458859

SCHEMBL30458859

O=C1c2ccc(CN3CCN(c4ccc(Cl)nn4)CC3)cc2CN1C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.46
▸ TNK1 Q13470 4/20 0.46
▸ TNK2 Q07912 3/20 0.46
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ PANK3 Q9H999 6/20 0.38
▸ VEGFA P15692 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ BPTF Q12830 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL30790468 0.82 HTR2C (0.51) PARP1HTR2AHTR2CHTR2B
SCHEMBL30459017 0.82 HTR2C (0.46) PARP1HTR2AHTR2CHTR2B
SCHEMBL25420240 0.82 PARP1 (0.39) PARP1TNK1TNK2PANK3VEGFA
SCHEMBL30458906 0.81 VEGFA (0.41) PARP1TNK1TNK2HTR2AHTR2C
SCHEMBL31076539 0.80 IKZF2 (0.55) —
SCHEMBL25647384 0.80 IKZF2 (0.55) —
SCHEMBL30459674 0.79 HTR2B (0.39) PARP1TNK1TNK2HTR2AHTR2C
SCHEMBL30790625 0.77 CRBN (0.47) PARP1HTR2AHTR2CHTR2B
SCHEMBL30459129 0.77 HTR2B (0.44) PARP1HTR2AHTR2CHTR2B
SCHEMBL30458379 0.77 HTR2B (0.44) PARP1HTR2AHTR2CHTR2B

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO claimed
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