SCHEMBL29365865

SCHEMBL29365865

CC(C)(C)[Si](C)(C)OC[C@H]1C[C@H](F)[C@H](n2cc(I)c3c(N)ncnc32)O1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.50
▸ HASPIN Q8TF76 1/20 0.43
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BCHE P06276 2/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ STING1 Q86WV6 1/20 0.38

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
SCHEMBL9850201 0.82 BCHE (0.54) BCHEPRMT5WDR77
SCHEMBL9850195 0.82 BCHE (0.54) BCHEPRMT5WDR77
SCHEMBL29363011 0.82 ADK (0.55) ADKHASPINMTORRAB9APRMT5
SCHEMBL28708929 0.80 ADK (0.64) ADKHASPINPRMT5
SCHEMBL29363042 0.80 ADK (0.64) ADKHASPINPRMT5
SCHEMBL18744635 0.78 ADK (0.56) ADKHASPINMTORRAB9A
SCHEMBL16968466 0.78 ADK (0.56) ADKHASPINMTORRAB9A
SCHEMBL15948772 0.78 PRMT5 (0.41) ADKBCHEPRMT5WDR77
SCHEMBL20938240 0.77 ADK (0.53) ADKPRMT5
SCHEMBL29720474 0.77 ADK (0.52) ADKMTORRAB9APRMT5

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
CN-113993877-A Novel carbonate compound having pyrrolopyrimidine skeleton or pharmaceutically acceptable salt thereof 大鹏药品工业株式会社 2022-01-28 — — CN disclosed
Send feedback