SCHEMBL5300564

SCHEMBL5300564

Nc1nc(N)c2c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2n1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 12/20 0.76
TYMS P04818 7/20 0.76
GART P22102 3/20 0.67
ATIC P31939 2/20 0.67
FOLR2 P14207 1/20 0.67
FOLR1 P15328 1/20 0.67
SHMT1 P34896 1/20 0.67
SLC19A1 P41440 1/20 0.67
FRK P42685 1/20 0.67
SLC46A1 Q96NT5 1/20 0.67

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
SCHEMBL7835435 1.00 DHFR (0.76) DHFRTYMSGARTATICFOLR2
SCHEMBL8997183 0.98 DHFR (0.76) DHFRTYMSGARTATICFOLR2
SCHEMBL9220524 0.97 DHFR (0.71) DHFRTYMSGARTATICFOLR2
SCHEMBL9229399 0.97 DHFR (0.71) DHFRTYMSGARTATICFOLR2
SCHEMBL9220522 0.97 DHFR (0.71) DHFRTYMSGARTATICFOLR2
SCHEMBL9223813 0.97 DHFR (0.71) DHFRTYMSGARTATICFOLR2
SCHEMBL7848195 0.94 DHFR (0.84) DHFRTYMSGARTATICFOLR2
SCHEMBL9039735 0.94 DHFR (0.67) DHFRTYMSGARTATICFOLR2
SCHEMBL8997255 0.92 DHFR (0.75) DHFRTYMSGARTATICFOLR2
SCHEMBL9085671 0.92 DHFR (0.75) DHFRTYMSGARTATICFOLR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334636-B1 Pyrrolopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-10-23 EP claimed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP claimed
US-4997838-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
WO-2007017512-A1 TREATMENT OF INFLAMMATORY DISEASES CELLZOME AG (DE) 2007-02-15 WO disclosed
WO-2007017505-A2 TREATMENT OF METABOLIC DISEASES CELLZOME AG (DE) 2007-02-15 WO disclosed
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
EP-0549886-B1 Process for the preparation of pyrrolo[2,3-d]pyrimidines UNIV PRINCETON (US) 1996-10-30 EP disclosed
US-5539113-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
US-5349064-A Production of pyrrolopyrimidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-20 US disclosed
US-5296600-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-22 US disclosed
US-5254687-A Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-10-19 US disclosed
EP-0549886-A1 Process for the preparation of pyrrolo[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-07-07 EP disclosed
US-5106974-A Antitumor and -carcinogenic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
US-4997838-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0402903-A1 Production of pyrrolopyrimidines and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1990-12-19 EP disclosed
EP-0334636-A2 Pyrrolopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-09-27 EP disclosed