SCHEMBL5820596

SCHEMBL5820596

CC(C)(C)OC(=O)N1CCC(n2nc(I)c3c(N)nccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.44
EGFR P00533 4/20 0.44
GPR119 Q8TDV5 8/20 0.43
KDR P35968 2/20 0.43
RET P07949 1/20 0.43
ABL1 P00519 3/20 0.42
NR3C1 P04150 2/20 0.42
PIK3CD O00329 1/20 0.42
HCK P08631 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
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
ABL2 P42684 2/20 0.42

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
SCHEMBL26790961 0.94 SRC (0.49) SRCEGFRGPR119KDRABL1
SCHEMBL29063911 0.94 SRC (0.49) SRCEGFRGPR119KDRABL1
SCHEMBL3849279 0.90 KDR (0.44) SRCEGFRGPR119KDRRET
SCHEMBL21579420 0.88 EGFR (0.48) SRCEGFRKDRABL1PIK3CD
SCHEMBL6274546 0.88 EGFR (0.48) SRCEGFRKDRABL1PIK3CD
SCHEMBL5822010 0.85 SRC (0.48) SRCEGFRGPR119KDRRET
SCHEMBL6268856 0.84 JAK2 (0.42) SRCEGFRKDRRETBTK
SCHEMBL13538097 0.84 NR3C1 (0.48) SRCEGFRGPR119KDRRET
SCHEMBL29503478 0.82 SRC (0.58) SRCEGFRKDRRETABL1
SCHEMBL2965560 0.82 SRC (0.58) SRCEGFRKDRRETABL1

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 6 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-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed