SCHEMBL6274546

SCHEMBL6274546

CC(C)(C)OC(=O)N1CCCC(n2nc(I)c3c(N)nccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
BTK Q06187 13/20 0.45
SRC P12931 5/20 0.44
ABL1 P00519 2/20 0.42
PIK3CD O00329 1/20 0.42
HCK P08631 1/20 0.42
KDR P35968 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
EPHB4 P54760 1/20 0.42
PRKDC P78527 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ABL2 P42684 1/20 0.41

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
SCHEMBL21579420 1.00 EGFR (0.48) EGFRJAK2JAK3BTKSRC
SCHEMBL29063911 0.94 SRC (0.49) EGFRJAK2JAK3BTKSRC
SCHEMBL26790961 0.94 SRC (0.49) EGFRJAK2JAK3BTKSRC
SCHEMBL3849279 0.90 KDR (0.44) EGFRJAK2JAK3BTKSRC
SCHEMBL21903722 0.89 JAK2 (0.48) EGFRJAK2JAK3BTKSRC
SCHEMBL31684273 0.89 JAK2 (0.48) EGFRJAK2JAK3BTKSRC
SCHEMBL22009062 0.89 JAK2 (0.48) EGFRJAK2JAK3BTKSRC
SCHEMBL5820596 0.88 SRC (0.44) EGFRBTKSRCABL1PIK3CD
SCHEMBL20645511 0.88 BTK (0.45) EGFRBTKSRCABL1PIK3CD
SCHEMBL21903578 0.88 BTK (0.46) EGFRBTKSRCABL1PIK3CD

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-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed