SCHEMBL5821886

SCHEMBL5821886

CCOC(=O)Cn1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)c2c(N)nccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 2/20 0.44
▸ KIT P10721 3/20 0.43
▸ CCR4 P51679 7/20 0.40
▸ ERN1 O75460 3/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ACLY P53396 1/20 0.38
▸ PTGES2 Q9H7Z7 3/20 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
SCHEMBL5823637 0.91 SGK1 (0.42) SGK1KITCCR4ERN1ACLY
SCHEMBL5803133 0.89 CCR4 (0.49) SGK1KITCCR4MAPK14
SCHEMBL5822848 0.86 SGK1 (0.44) SGK1KITCCR4ERN1ACLY
SCHEMBL5822181 0.85 SGK1 (0.46) SGK1KITCCR4ERN1ACLY
SCHEMBL5823869 0.83 SGK1 (0.46) SGK1KITCCR4ERN1ACLY
SCHEMBL24429612 0.82 KIT (0.46) SGK1KITERN1
SCHEMBL6430312 0.82 KIT (0.44) SGK1KITCCR4
SCHEMBL5804448 0.82 CCR4 (0.53) SGK1KITCCR4
SCHEMBL6433271 0.80 CCR4 (0.47) SGK1KITCCR4ERN1
SCHEMBL6430815 0.79 CCR4 (0.57) SGK1KITCCR4ACLYPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
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