SCHEMBL6220508

SCHEMBL6220508

COc1cc(-c2nn(C3CCN(C(=O)OC(C)(C)C)CC3)c3ccnc(N)c23)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.51
ABL1 P00519 8/20 0.51
KDR P35968 6/20 0.51
EGFR P00533 6/20 0.51
PIK3CD O00329 5/20 0.51
HCK P08631 5/20 0.51
PIK3CA P42336 5/20 0.51
PIK3CB P42338 5/20 0.51
MTOR P42345 5/20 0.51
PIK3CG P48736 5/20 0.51
EPHB4 P54760 5/20 0.51
PRKDC P78527 5/20 0.51
PI4KB Q9UBF8 5/20 0.51
CFTR P13569 3/20 0.48
ITK Q08881 1/20 0.44
TGFBR1 P36897 1/20 0.44
RET P07949 1/20 0.43
PTK6 Q13882 2/20 0.43
LCK P06239 2/20 0.42
ABL2 P42684 1/20 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
SCHEMBL4823038 0.87 KDR (0.70) SRCABL1KDREGFRPIK3CD
SCHEMBL5822010 0.87 SRC (0.48) SRCABL1KDREGFRPIK3CD
SCHEMBL5822930 0.85 SRC (0.51) SRCABL1KDREGFRPIK3CD
SCHEMBL2365351 0.81 BTK (0.53) SRCABL1KDREGFRPIK3CD
SCHEMBL5823904 0.81 CFTR (0.45) SRCABL1KDREGFRPIK3CD
SCHEMBL5812726 0.81 SRC (0.61) SRCABL1KDREGFRPIK3CD
SCHEMBL5813953 0.81 SRC (0.56) SRCABL1KDREGFRPIK3CD
SCHEMBL5823668 0.80 SRC (0.57) SRCABL1KDREGFRPIK3CD
SCHEMBL5820596 0.80 SRC (0.44) SRCABL1KDREGFRPIK3CD
SCHEMBL5819470 0.79 SRC (0.56) SRCABL1KDREGFRPIK3CD

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