SCHEMBL5822930

SCHEMBL5822930

COc1cc(-c2nn(C3CCN(C(=O)OCc4ccccc4)CC3)c3ccnc(N)c23)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.51
LCK P06239 10/20 0.51
TEK Q02763 8/20 0.51
KDR P35968 6/20 0.51
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51
EGFR P00533 5/20 0.48
PIK3CD O00329 3/20 0.48
ABL1 P00519 3/20 0.48
HCK P08631 3/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
MTOR P42345 3/20 0.48
PIK3CG P48736 3/20 0.48
EPHB4 P54760 3/20 0.48
PRKDC P78527 3/20 0.48
PI4KB Q9UBF8 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
ERBB2 P04626 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
SCHEMBL5822928 0.88 SRC (0.65) SRCLCKTEKKDRLIMK1
SCHEMBL6637623 0.88 SRC (0.46) SRCLCKTEKKDRLIMK1
SCHEMBL5823668 0.87 SRC (0.57) SRCLCKTEKKDRLIMK1
SCHEMBL6220508 0.85 SRC (0.51) SRCLCKKDREGFRPIK3CD
SCHEMBL5821936 0.81 GRIN2B (0.50) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL6274140 0.77 SRC (0.46) SRCLCKTEKKDRLIMK1
SCHEMBL5813953 0.77 SRC (0.56) SRCLCKTEKKDRLIMK1
SCHEMBL5823664 0.77 LCK (0.71) SRCLCKTEKKDRLIMK1
SCHEMBL5819470 0.76 SRC (0.56) SRCLCKTEKKDRLIMK1
SCHEMBL5801721 0.76 LCK (0.66) SRCLCKTEKKDRLIMK1

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