SCHEMBL28434205

SCHEMBL28434205

NCCCNc1nc(Nc2ccc(O)cc2)ncc1Cl

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 19/20 0.81
STK17B O94768 15/20 0.81
AURKA O14965 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
SCHEMBL20154731 0.90 STK17A (1.00) STK17ASTK17B
SCHEMBL20154744 0.88 STK17A (1.00) STK17ASTK17B
SCHEMBL22508275 0.88 STK17A (0.81) STK17ASTK17B
SCHEMBL21364895 0.88 STK17A (0.81) STK17ASTK17B
SCHEMBL20154805 0.88 STK17A (1.00) STK17ASTK17B
SCHEMBL21364914 0.87 STK17A (0.77) STK17ASTK17B
SCHEMBL20154743 0.86 STK17A (1.00) STK17ASTK17B
SCHEMBL20154734 0.85 STK17A (1.00) STK17ASTK17B
SCHEMBL20154804 0.85 STK17A (1.00) STK17ASTK17B
SCHEMBL20154739 0.85 STK17A (1.00) STK17ASTK17B

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
CN-110114344-B Novel pyrimidine compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer and inflammatory disease 韩国化学研究院 2020-06-16 CN disclosed