SCHEMBL160042

SCHEMBL160042

CN(Cc1cnc2nc(N)nc(N)c2n1)c1c(Cl)cc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.75
NCOA3 Q9Y6Q9 2/20 0.75
KDM4E B2RXH2 1/20 0.75
TLR4 O00206 1/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
TP53 P04637 1/20 0.75
TYMS P04818 1/20 0.75
GLA P06280 1/20 0.75
POLB P06746 1/20 0.75
HMGB1 P09429 1/20 0.75
MAPT P10636 1/20 0.75
FOLR2 P14207 1/20 0.75
FOLR1 P15328 1/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
ALOX12 P18054 1/20 0.75
GART P22102 1/20 0.75
APEX1 P27695 1/20 0.75

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
SCHEMBL10653854 1.00 DHFR (0.75) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL31237427 0.95 DHFR (0.70) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL26422291 0.94 DHFR (0.67) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL5325480 0.92 DHFR (0.77) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL20228929 0.92 DHFR (0.77) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL20228932 0.87 FPGS (0.75) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL26422313 0.86 DHFR (0.69) DHFRNCOA3KDM4ETLR4MEN1
Methotrexate SCHEMBL171251 0.86 DHFR (1.00) DHFRNCOA3KDM4ETLR4MEN1
Methotrexate SCHEMBL3711 0.86 DHFR (1.00) DHFRNCOA3KDM4ETLR4MEN1
Methotrexate SCHEMBL20548444 0.86 DHFR (1.00) DHFRNCOA3KDM4ETLR4MEN1

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

Appears in 3382 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260091124-A1 CLICK-TO-RELEASE ON PROTEINS AND PEPTIDES VALANX BIOTECH GMBH (AT) 2026-04-02 US claimed
EP-4701667-A1 TROP2 BINDERS AND CONJUGATES THEREOF Merck Sharp & Dohme LLC (US) 2026-03-04 EP claimed
EP-4603107-A1 BIOORTHOGONAL, ANILINIUM BASED CLEAVABLE TETRAZINES University of Copenhagen (DK) 2025-08-20 EP claimed
EP-4590342-A1 CLICK-TO-RELEASE ON PROTEINS AND PEPTIDES VALANX Biotech GmbH (AT) 2025-07-30 EP claimed
WO-2025122699-A1 CDC7 INHIBITOR COMBINATIONAL THERAPY Lin Bioscience, Inc. (TW) 2025-06-12 WO claimed
US-20250172563-A1 MATERIALS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF CANCER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2025-05-29 US claimed
US-20250090495-A1 CDC7 Inhibitor Combinational Therapy Lin Bioscience, Inc. (TW) 2025-03-20 US claimed
WO-2024226410-A1 TROP2 BINDERS AND CONJUGATES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-31 WO claimed
EP-4382167-A2 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY Tagworks Pharmaceuticals B.V. (NL) 2024-06-12 EP claimed
US-20240123074-A1 MINIMALLY TOXIC PRODRUGS COBIORES NV (BE) 2024-04-18 US claimed
EP-1144011-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Coulter Pharmaceutical, Inc. (US) 2001-10-17 EP claimed
EP-1135410-A2 ANTENNAPEDIA HOMEODOMAIN HELIX 3 DERIVED TRANSLOCATION VECTORS Cyclacel Limited (GB) 2001-09-26 EP claimed
WO-2000033888-A9 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARM INC (US) 2001-05-10 WO claimed
EP-1093383-A1 DRUG DELIVERY SYSTEM COMPRISING A HOMEOBOX PEPTIDE Cyclacel Limited (GB) 2001-04-25 EP claimed
WO-2000033888-A2 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARMACEUTICAL, INC. (US) 2000-06-15 WO claimed
WO-2000029427-A2 ANTENNAPEDIA HOMEODOMAIN HELIX 3 DERIVED TRANSLOCATION VECTORS CYCLACEL LIMITED (GB) 2000-05-25 WO claimed
CN-1242708-A Conjugates for the treatment of prostate cancer MERCK & CO INC (US) 2000-01-26 CN claimed
WO-2000001417-A1 DELIVERY SYSTEM CYCLACEL LIMITED (GB) 2000-01-13 WO claimed
EP-0359347-B1 COVALENTLY-LINKED COMPLEXES AND METHODS FOR ENHANCED CYTOTOXICITY AND IMAGING NEORX CORPORATION (US) 1992-12-23 EP claimed
EP-0359347-A2 Covalently-linked complexes and methods for enhanced cytotoxicity and imaging NEORX CORPORATION (US) 1990-03-21 EP claimed