SCHEMBL5823867

SCHEMBL5823867

CCC(C(=O)O)n1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.46
▸ SGK1 O00141 2/20 0.46
▸ SRC P12931 13/20 0.45
▸ ABL1 P00519 12/20 0.45
▸ PIK3CD O00329 11/20 0.45
▸ EGFR P00533 11/20 0.45
▸ HCK P08631 11/20 0.45
▸ KDR P35968 11/20 0.45
▸ PIK3CA P42336 11/20 0.45
▸ MTOR P42345 11/20 0.45
▸ EPHB4 P54760 11/20 0.45
▸ PRKDC P78527 11/20 0.45
▸ PI4KB Q9UBF8 10/20 0.45
▸ PIK3CB P42338 10/20 0.45
▸ PIK3CG P48736 10/20 0.45
▸ CCR4 P51679 3/20 0.44
▸ RIPK1 Q13546 1/20 0.43

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
SCHEMBL5823869 0.90 SGK1 (0.46) KITSGK1CCR4
SCHEMBL6435165 0.89 SRC (0.49) KITSGK1SRCABL1PIK3CD
SCHEMBL5801763 0.88 CCR4 (0.47) KITSGK1SRCABL1PIK3CD
SCHEMBL5803301 0.87 CCR4 (0.51) KITSGK1SRCABL1PIK3CD
SCHEMBL6433439 0.85 CCR4 (0.55) KITSGK1SRCABL1PIK3CD
SCHEMBL5823184 0.85 SGK1 (0.44) KITSGK1CCR4
SCHEMBL6430815 0.84 CCR4 (0.57) KITSGK1SRCABL1PIK3CD
SCHEMBL5804448 0.84 CCR4 (0.53) KITSGK1PIK3CDPIK3CAPRKDC
SCHEMBL5803133 0.83 CCR4 (0.49) KITSGK1SRCABL1PIK3CD
SCHEMBL6430931 0.83 SGK1 (0.48) KITSGK1SRCABL1PIK3CD

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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