SCHEMBL5812440

SCHEMBL5812440

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OCC(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.80
SRC P12931 14/20 0.80
TEK Q02763 13/20 0.80
KDR P35968 3/20 0.80
LIMK1 P53667 2/20 0.80
LIMK2 P53671 1/20 0.80
FYN P06241 3/20 0.68
PLK4 O00444 1/20 0.60
AURKA O14965 1/20 0.60
PAK4 O96013 1/20 0.60
CHEK2 O96017 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
NTRK1 P04629 1/20 0.60
INSR P06213 1/20 0.60
CSF1R P07333 1/20 0.60
LYN P07948 1/20 0.60
HCK P08631 1/20 0.60
FGR P09769 1/20 0.60

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
SCHEMBL5805157 0.89 LCK (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL6645184 0.89 LCK (1.00) LCKSRCTEKKDRLIMK1
SCHEMBL6636829 0.88 SRC (0.65) LCKSRCTEKKDRLIMK1
SCHEMBL23847494 0.88 LCK (0.84) LCKSRCTEKKDRLIMK1
SCHEMBL4847861 0.88 LCK (0.84) LCKSRCTEKKDRLIMK1
SCHEMBL4854954 0.88 SRC (0.76) LCKSRCTEKKDRLIMK1
SCHEMBL6434974 0.88 SRC (0.76) LCKSRCTEKKDRLIMK1
SCHEMBL4854947 0.88 SRC (0.76) LCKSRCTEKKDRLIMK1
SCHEMBL6430480 0.85 LCK (0.79) LCKSRCTEKKDRLIMK1
SCHEMBL6430504 0.85 LCK (0.78) LCKSRCTEKKDRLIMK1

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