SCHEMBL27429482

SCHEMBL27429482

Cc1cc(CNc2nc(N3CCCN(C)CC3)nc3nccnc23)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.49
▸ CSNK1E P49674 9/20 0.45
▸ CSNK1D P48730 8/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ HTR3A P46098 2/20 0.42
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL27429471 0.96 HRH4 (0.52) HRH4CSNK1ECSNK1DPDE4APDE4B
SCHEMBL27429480 0.92 PDE4A (0.47) HRH4CSNK1ECSNK1DPDE4APDE4B
SCHEMBL27429475 0.88 HRH4 (0.47) HRH4CSNK1ECSNK1DPDE4APDE4B
SCHEMBL27429472 0.86 CSNK1E (0.45) HRH4CSNK1ECSNK1DCCNE1CDK2
SCHEMBL27248344 0.79 HRH4 (0.64) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL27248325 0.75 HPGD (0.54) HRH4HTR3A
SCHEMBL27429713 0.75 PTK2 (0.47) HRH4CSNK1ECSNK1DPDE4APDE4B
SCHEMBL27429799 0.74 HRH4 (0.45) HRH4CSNK1ECSNK1DPDE4APDE4B
SCHEMBL27429801 0.73 JAK3 (0.47) HRH4PDE4APDE4BPDE4CPDE4D
SCHEMBL27432094 0.73 HRH4 (0.45) HRH4CSNK1ECSNK1DPDE4APDE4B

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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