SCHEMBL7141273

SCHEMBL7141273

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)C(N2CCOCC2)N2CCOCC2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.67
EGFR P00533 7/20 0.65
ITK Q08881 5/20 0.65
LCK P06239 4/20 0.65
JAK3 P52333 2/20 0.65
TEC P42680 3/20 0.64
BMX P51813 3/20 0.64
TXK P42681 2/20 0.64
LYN P07948 2/20 0.64
FGFR2 P21802 2/20 0.64
RIPK2 O43353 1/20 0.64
NR1I2 O75469 1/20 0.64
SLC22A3 O75751 1/20 0.64
LATS1 O95835 1/20 0.64
NUDT14 O95848 1/20 0.64
ABL1 P00519 1/20 0.64
ERBB2 P04626 1/20 0.64
FYN P06241 1/20 0.64
PGR P06401 1/20 0.64
CSF1R P07333 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
SCHEMBL7046503 0.90 BTK (0.69) BTKEGFRITKLCKJAK3
SCHEMBL7139793 0.87 BTK (0.68) BTKEGFRITKLCKJAK3
SCHEMBL6438149 0.87 BTK (0.70) BTKEGFRITKLCKJAK3
SCHEMBL7144296 0.86 BTK (0.73) BTKEGFRITKLCKJAK3
SCHEMBL5802021 0.85 BTK (0.67) BTKEGFRITKLCKJAK3
SCHEMBL5801655 0.84 BTK (0.71) BTKEGFRITKLCKJAK3
Morpholine SCHEMBL7141268 0.83 BTK (0.65) BTKEGFRITKLCKJAK3
SCHEMBL14575094 0.83 BTK (0.65) BTKEGFRITKLCKJAK3
SCHEMBL6430741 0.83 BTK (0.82) BTKEGFRITKLCKJAK3
SCHEMBL7140714 0.82 BTK (0.60) BTKEGFRITKLCKJAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed