SCHEMBL7836050

SCHEMBL7836050

Nc1nc2[nH]cc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GART P22102 10/20 0.90
FOLR1 P15328 8/20 0.90
SLC46A1 Q96NT5 7/20 0.90
SLC19A1 P41440 6/20 0.90
TYMS P04818 5/20 0.90
DHFR P00374 4/20 0.90
FOLR2 P14207 4/20 0.90
ATIC P31939 4/20 0.90
SHMT1 P34896 2/20 0.90
FRK P42685 1/20 0.90
SHMT2 P34897 1/20 0.61

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
Pemetrexed SCHEMBL5959741 0.95 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL7144918 0.95 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL209720 0.95 GART (1.00) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL14321276 0.94 GART (0.98) GARTFOLR1SLC46A1SLC19A1TYMS
Pemetrexed SCHEMBL1933381 0.94 GART (0.98) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL24846066 0.91 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967367 0.91 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967346 0.91 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL22967345 0.91 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS
SCHEMBL15078815 0.91 GART (0.93) GARTFOLR1SLC46A1SLC19A1TYMS

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