SCHEMBL5823933

SCHEMBL5823933

CC(C)(C)OC(=O)CC1(O)CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.49
LCK P06239 5/20 0.46
LYN P07948 2/20 0.46
NUDT14 O95848 1/20 0.46
NUDT5 Q9UKK9 1/20 0.46
EGFR P00533 4/20 0.45
ITK Q08881 3/20 0.44
SRC P12931 2/20 0.43
ABL1 P00519 1/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43
HCK P08631 1/20 0.43
FGR P09769 1/20 0.43
FER P16591 1/20 0.43
CSK P41240 1/20 0.43
TEC P42680 1/20 0.43
BLK P51451 1/20 0.43
BMX P51813 1/20 0.43
JAK3 P52333 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
SCHEMBL5823931 0.88 BTK (0.63) BTKLCKLYNNUDT14NUDT5
SCHEMBL6641514 0.80 BTK (0.56) BTKLCKNUDT14NUDT5EGFR
SCHEMBL5800920 0.79 BTK (0.71) BTKLCKLYNNUDT14NUDT5
SCHEMBL5800922 0.79 BTK (0.71) BTKLCKLYNNUDT14NUDT5
SCHEMBL21966559 0.78 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL5815560 0.78 BTK (0.50) BTKLCKLYNNUDT14NUDT5
SCHEMBL5817678 0.77 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL5811826 0.77 BTK (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL5819712 0.77 BTK (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL6430757 0.77 BTK (0.70) BTKLCKLYNNUDT14NUDT5

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