SCHEMBL5823957

SCHEMBL5823957

COc1cc(-c2nn(C3CCNCC3)c3ccnc(N)c23)ccc1NC(=O)c1cc2cc(C)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.56
SRC P12931 7/20 0.56
TEK Q02763 5/20 0.56
FYN P06241 4/20 0.46
EGFR P00533 2/20 0.44
LIMK1 P53667 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
HCK P08631 1/20 0.44
FGR P09769 1/20 0.44
FLT1 P17948 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6278846 0.93 LCK (0.56) LCKSRCTEKFYNEGFR
SCHEMBL5817995 0.91 LCK (0.64) LCKSRCTEKFYNEGFR
SCHEMBL5823953 0.90 LCK (0.69) LCKSRCTEKFYNEGFR
SCHEMBL6218794 0.84 LCK (0.69) LCKSRCTEKFYNEGFR
SCHEMBL6278841 0.83 LCK (0.69) LCKSRCTEKFYNEGFR
SCHEMBL4821436 0.82 LCK (0.80) LCKSRCTEKFYNEGFR
Acetic Acid SCHEMBL4828254 0.82 LCK (0.67) LCKSRCTEKFYNEGFR
SCHEMBL7050233 0.81 LCK (0.66) LCKSRCTEKFYNEGFR
Acetic Acid SCHEMBL6245563 0.81 LCK (0.66) LCKSRCTEKFYNEGFR
Acetic Acid SCHEMBL4826698 0.80 LCK (0.65) LCKSRCTEKFYNEGFR

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