SCHEMBL3381901

SCHEMBL3381901

C1=NC(c2ccc(-c3ncn(C4CCCCO4)n3)nc2)=CN(C2CCOCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL15176842 0.73 CYP4F2 (0.39) CD274
SCHEMBL29522156 0.72 CYP4F2 (0.35) CD274
SCHEMBL137046 0.72 CYP4F2 (0.35) CD274
SCHEMBL30365739 0.71 MTOR (0.49) CD274
SCHEMBL150074 0.71 MTOR (0.57)
SCHEMBL482091 0.69 CYP4F2 (0.34) CD274
SCHEMBL2144561 0.66 ALDH1A1 (0.36) CD274
SCHEMBL153542 0.63 CYP2C19 (0.35) CD274
SCHEMBL2145172 0.62 CYP1A2 (0.40) CD274
SCHEMBL482277 0.61 CYP4F2 (0.36) CD274

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-106117213-B Heteroaryl compounds and methods for their synthesis and purification 西格诺药品有限公司 2022-03-18 CN disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed