SCHEMBL7847672

SCHEMBL7847672

CCOC(=O)CC[C@H](NC(=O)c1ccc(CCCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 7/20 0.65
SLC46A1 Q96NT5 7/20 0.65
GART P22102 7/20 0.65
SLC19A1 P41440 6/20 0.65
TYMS P04818 5/20 0.65
DHFR P00374 4/20 0.65
FOLR2 P14207 3/20 0.65
ATIC P31939 2/20 0.65
SHMT1 P34896 1/20 0.65
FRK P42685 1/20 0.65

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
SCHEMBL7847673 1.00 FOLR1 (0.65) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL15078818 0.95 TYMS (0.72) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL7844331 0.95 TYMS (0.72) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL7844327 0.95 TYMS (0.72) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL17918514 0.90 TYMS (0.69) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL8997192 0.89 DHFR (0.58) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL8997189 0.89 DHFR (0.58) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL9848004 0.88 DHFR (0.53) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL9039220 0.88 DHFR (0.57) FOLR1SLC46A1GARTSLC19A1TYMS
SCHEMBL9039215 0.88 DHFR (0.57) FOLR1SLC46A1GARTSLC19A1TYMS

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-1105396-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES The Trustees of Princeton University (US) 2001-06-13 EP disclosed
US-6066732-A Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 US disclosed
WO-2000011004-A1 PROCESS FOR THE PREPARATION OF PYRROLO[2,3-D]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-03-02 WO disclosed