SCHEMBL30149926

SCHEMBL30149926

Nc1nc(F)nc2c1nc(Cl)n2[C@H]1CC[C@@H](CCl)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ AHCY P23526 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL28644044 0.72 NT5E (0.50) LMNANT5EHIF1A
SCHEMBL28646728 0.68 LMNA (0.61) LMNANT5EHIF1A
SCHEMBL2808298 0.65 LMNA (0.58) AHCYLMNANT5EHIF1A
SCHEMBL22862138 0.65 LMNA (0.58) AHCYLMNANT5EHIF1A
SCHEMBL3054167 0.65 LMNA (0.58) AHCYLMNANT5EHIF1A
SCHEMBL27767056 0.65 LMNA (0.41) LMNA
SCHEMBL24221343 0.60 PI4KA (0.57) AHCYLMNA
SCHEMBL22460508 0.60 PI4KA (0.57) AHCYLMNA
SCHEMBL20326939 0.60 CA5A (0.64) AHCYLMNANT5EHIF1A
SCHEMBL26800043 0.60 AHCY (0.44) AHCYLMNANT5EHIF1A

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-2023000708-A1 POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2023-01-26 — — WO disclosed
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