SCHEMBL6645874

SCHEMBL6645874

CN(C)CC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.85
KIT P10721 1/20 0.85
FLT3 P36888 1/20 0.85
EGFR P00533 4/20 0.67
LCK P06239 3/20 0.67
ITK Q08881 2/20 0.67
LYN P07948 1/20 0.64

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
Acetic Acid SCHEMBL5819970 0.98 BTK (0.82) BTKKITFLT3EGFRLCK
SCHEMBL17951520 0.94 BTK (0.92) BTKKITFLT3EGFRLCK
SCHEMBL6430186 0.93 BTK (0.74) BTKKITFLT3EGFRLCK
SCHEMBL30615720 0.92 BTK (0.84) BTKKITFLT3EGFRLCK
SCHEMBL5823164 0.92 BTK (0.84) BTKKITFLT3EGFRLCK
SCHEMBL19638299 0.92 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL17951497 0.92 BTK (1.00) BTKKITFLT3EGFRLCK
SCHEMBL6438133 0.89 BTK (0.73) BTKKITFLT3EGFRLCK
SCHEMBL6430256 0.89 BTK (0.69) BTKKITFLT3EGFRLCK
SCHEMBL7136201 0.88 BTK (0.68) BTKKITFLT3EGFRLCK

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