SCHEMBL2837600

SCHEMBL2837600

CCCCC(O)(O)OC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.52
NOTUM Q6P988 1/20 0.47
MTOR P42345 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
WNT3A P56704 1/20 0.41
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 7/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAP3K7 O43318 1/20 0.38
MAP3K6 O95382 1/20 0.38
MAP3K5 Q99683 1/20 0.38
QPCT Q16769 1/20 0.37

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
SCHEMBL28166698 0.79 GSK3B (0.60) CTSKNOTUMMTORGSK3BDYRK1A
SCHEMBL30636341 0.79 GSK3B (0.60) CTSKNOTUMMTORGSK3BDYRK1A
SCHEMBL213604 0.77 CTSK (0.57) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL22793399 0.74 NOTUM (0.52) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL22550481 0.73 NOTUM (0.49) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL22550526 0.73 NOTUM (0.49) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL20718135 0.73 NOTUM (0.49) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL215045 0.73 NOTUM (0.49) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL212869 0.73 CTSK (0.51) CTSKNOTUMMTORWNT3ACHEK1
SCHEMBL2574304 0.73 EPHX1 (0.61) CTSKNOTUMCHEK1ALDH1A1QPCT

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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed