SCHEMBL31491355

SCHEMBL31491355

O=c1[nH]cnc2ccc(Nc3nc(Cl)nc4c3S(=O)(=O)CCC4)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 4/20 0.43
▸ PARP1 P09874 4/20 0.41
▸ PDE4B Q07343 11/20 0.39
▸ PDE4D Q08499 8/20 0.39
▸ IP6K3 Q96PC2 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36

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
SCHEMBL31491352 0.81 KDM4E (0.42) PDE4BPDE4D
SCHEMBL31491324 0.77 PDE4B (0.43) PDE4BPDE4D
SCHEMBL31491373 0.74 PDE4B (0.39) PDE4BPDE4D
SCHEMBL31491359 0.73 PDE4B (0.38) PDE4BPDE4D
SCHEMBL31491401 0.72 PDE4B (0.42) PDE4BPDE4D
SCHEMBL31491376 0.70 NEK2 (0.41) PDE4BPDE4D
SCHEMBL31571877 0.69 PDE4B (0.38) PDE4BPDE4D
SCHEMBL31572382 0.69 PDE4B (0.61) PDE4BPDE4D
SCHEMBL31491383 0.67 PDE4B (0.50) PDE4BPDE4D
SCHEMBL31491329 0.67 PDE4B (0.50) PDE4BPDE4D

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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