SCHEMBL31415596

SCHEMBL31415596

CCOC(=O)CCc1cc(OCCOCCN)ccc1OCCCOc1c(N)nc(N)nc1CC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.54
SLC2A1 P11166 1/20 0.42

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
SCHEMBL31415591 0.93 DHFR (0.54) DHFRSLC2A1
SCHEMBL31415634 0.89 DHFR (0.50) DHFRSLC2A1
SCHEMBL31415622 0.84 DHFR (0.61) DHFR
SCHEMBL31415587 0.84 DHFR (0.61) DHFR
SCHEMBL3267583 0.81 DHFR (0.80) DHFR
Hydrochloric Acid SCHEMBL3273923 0.81 DHFR (0.78) DHFR
SCHEMBL3271792 0.76 DHFR (0.54) DHFR
SCHEMBL3268862 0.76 DHFR (0.66) DHFR
Hydrochloric Acid SCHEMBL3267053 0.75 DHFR (0.55) DHFR
Hydrochloric Acid SCHEMBL3273826 0.75 DHFR (0.65) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053796-A1 HYBRID MOLECULES BETWEEN PYRIMIDINE DERIVATIVES AND IDASANUTLIN NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2025-03-13 WO disclosed