SCHEMBL5815560

SCHEMBL5815560

NCC1(O)CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.50
LCK P06239 2/20 0.50
LYN P07948 1/20 0.50
NUDT14 O95848 1/20 0.47
NUDT5 Q9UKK9 1/20 0.47
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
EGFR P00533 1/20 0.44
TNK2 Q07912 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
SCHEMBL5813105 0.87 BTK (0.51) BTKLCKLYNNUDT14NUDT5
SCHEMBL5815556 0.85 BTK (0.70) BTKLCKLYNNUDT14NUDT5
SCHEMBL5815559 0.83 BTK (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL5821832 0.82 BTK (0.46) BTKLCKLYNNUDT14NUDT5
SCHEMBL5817903 0.82 TNK2 (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL22902484 0.81 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL5820147 0.81 BTK (0.55) BTKLCKLYNNUDT14NUDT5
SCHEMBL5817781 0.81 BTK (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL5817678 0.80 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL23216900 0.79 BTK (0.58) 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