SCHEMBL6693525

SCHEMBL6693525

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3cncc(N)c23)ccc1/N=C/c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.44
LCK P06239 17/20 0.44
TEK Q02763 16/20 0.44
KDR P35968 6/20 0.44
FYN P06241 2/20 0.43
LIMK1 P53667 2/20 0.42
LIMK2 P53671 1/20 0.42
BTK Q06187 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ERBB2 P04626 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38

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
SCHEMBL5819378 0.88 SRC (0.49) SRCLCKTEKKDRFYN
SCHEMBL6432833 0.84 SRC (0.63) SRCLCKTEKKDRFYN
SCHEMBL5819374 0.84 SRC (0.63) SRCLCKTEKKDRFYN
SCHEMBL6432827 0.84 SRC (0.63) SRCLCKTEKKDRFYN
SCHEMBL5823745 0.82 SRC (0.49) SRCLCKTEKKDRFYN
SCHEMBL5819209 0.77 SRC (0.49) SRCLCKTEKKDRFYN
SCHEMBL5821051 0.75 SRC (0.52) SRCLCKTEKKDRFYN
SCHEMBL6667817 0.74 LCK (0.44) SRCLCKTEKKDRFYN
SCHEMBL6432561 0.74 SRC (0.58) SRCLCKTEKKDRLIMK1
SCHEMBL6432574 0.74 SRC (0.58) 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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed