SCHEMBL30411955

SCHEMBL30411955

COc1ccccc1Oc1c(N)nc(-c2ccc(F)cc2)nc1OCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 19/20 1.00
EDNRB P24530 1/20 0.54
EDNRA P25101 1/20 0.54

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
SCHEMBL28571174 1.00 DHPS (1.00) DHPSEDNRBEDNRA
SCHEMBL28573181 0.92 DHPS (1.00) DHPSEDNRBEDNRA
SCHEMBL30412442 0.92 DHPS (1.00) DHPSEDNRBEDNRA
SCHEMBL30411805 0.91 DHPS (1.00) DHPS
SCHEMBL30411959 0.91 DHPS (0.85) DHPS
SCHEMBL28578876 0.91 DHPS (1.00) DHPS
SCHEMBL28569474 0.91 DHPS (0.85) DHPS
SCHEMBL30411675 0.90 DHPS (1.00) DHPS
SCHEMBL30411283 0.90 DHPS (1.00) DHPS
SCHEMBL28563806 0.90 DHPS (1.00) DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778215-B 2-methoxyphenoxypyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN claimed
CN-112778215-B 2-methoxyphenoxypyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN disclosed