SCHEMBL11183383

SCHEMBL11183383

[CH2][C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.59
▸ NT5E P21589 1/20 0.59
▸ STING1 Q86WV6 4/20 0.58
▸ PDE3B Q13370 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ GSK3A P49840 2/20 0.55
▸ RPS6KA3 P51812 2/20 0.55
▸ MAPK14 Q16539 2/20 0.55
▸ TGM2 P21980 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ PNP P00491 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL4278130 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL19938159 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL2510562 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL16114092 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL13833323 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL24299397 0.86 HINT1 (0.62) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL5354648 0.85 HINT1 (0.67) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14559274 0.85 HINT1 (0.67) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5354652 0.85 HINT1 (0.67) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16822314 0.85 AHCY (0.60) HINT1NT5ESTING1PDE3BPDE3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020196993-A1 VARIANT PHOSPHORIBOSYL PYROPHOSPHATE AMIDOTRANSFERASE AND METHOD FOR PRODUCING PURINE NUCLEOTIDE BY USING SAME 씨제이제일제당 (주) 2020-10-01 — — WO disclosed
EP-2970360-A1 RAS INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 — — WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 — — WO disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 — — EP disclosed
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