SCHEMBL7056763

SCHEMBL7056763

CC(C)(C)OC(=O)NCCCn1ccnc1C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ DRD2 P14416 6/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL24533118 0.83 STK17B (0.51) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL28420219 0.83 KDM4E (0.43) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL19027343 0.81 TLR8 (0.48) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL14420521 0.80 TDP1 (0.47) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL19741733 0.79 STK17B (0.44) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL29651697 0.79 STK17B (0.44) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL5531682 0.78 TDP1 (0.48) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL29651672 0.78 CA12 (0.46) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL24533245 0.78 DYRK1A (0.46) STK17BSTK17ADRD2TDP1DYRK1A
SCHEMBL14416000 0.78 STK17B (0.43) STK17BSTK17ADRD2TDP1DYRK1A

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-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 — — WO disclosed
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