SCHEMBL16114085

SCHEMBL16114085

NCC1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.68
▸ NT5E P21589 1/20 0.68
▸ GSK3A P49840 2/20 0.64
▸ RPS6KA3 P51812 2/20 0.64
▸ MAPK14 Q16539 2/20 0.64
▸ HPGD P15428 1/20 0.63
▸ TGM2 P21980 1/20 0.62
▸ PNP P00491 1/20 0.61
▸ STING1 Q86WV6 2/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ KRAS P01116 3/20 0.56
▸ FUT5 Q11128 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.55

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
SCHEMBL16113852 1.00 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL8064383 1.00 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL13833305 1.00 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL8064372 1.00 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16114035 1.00 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
Phosphoric Acid SCHEMBL1971262 0.96 NT5E (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049416 0.91 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049608 0.91 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL7062800 0.91 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049417 0.91 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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