SCHEMBL27429475

SCHEMBL27429475

Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3nccnc23)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.47
▸ PDE5A O76074 1/20 0.47
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ HTR3A P46098 3/20 0.45
▸ CSNK1D P48730 2/20 0.43
▸ CSNK1E P49674 2/20 0.43
▸ HRH1 P35367 3/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ HTR6 P50406 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
SCHEMBL27429480 0.96 PDE4A (0.47) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27429471 0.92 HRH4 (0.52) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27429482 0.88 HRH4 (0.49) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27248344 0.85 HRH4 (0.64) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27429472 0.81 CSNK1E (0.45) HRH4CCNE1CDK2CSNK1DCSNK1E
SCHEMBL27429713 0.81 PTK2 (0.47) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27248311 0.81 HPGD (0.58) HRH4
SCHEMBL27429799 0.80 HRH4 (0.45) HRH4PDE5ACCNE1CDK2PDE4A
SCHEMBL27429801 0.80 JAK3 (0.47) HRH4PDE5APDE4APDE4BPDE4C
SCHEMBL27248325 0.77 HPGD (0.54) HRH4HTR3A

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-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
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