SCHEMBL7047810

SCHEMBL7047810

NCCCN1CCOCC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CNCCN2CCOCC2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.60
EGFR P00533 7/20 0.60
LCK P06239 4/20 0.60
ITK Q08881 4/20 0.60
JAK3 P52333 2/20 0.60
FLT3 P36888 2/20 0.54
KIT P10721 1/20 0.54
TEC P42680 3/20 0.53
BMX P51813 3/20 0.53
TXK P42681 2/20 0.53
LYN P07948 2/20 0.53
FGFR2 P21802 2/20 0.53
RIPK2 O43353 1/20 0.53
NR1I2 O75469 1/20 0.53
SLC22A3 O75751 1/20 0.53
LATS1 O95835 1/20 0.53
NUDT14 O95848 1/20 0.53
ABL1 P00519 1/20 0.53
ERBB2 P04626 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL7136335 0.97 BTK (0.60) BTKEGFRLCKITKJAK3
SCHEMBL7140710 0.96 BTK (0.61) BTKEGFRLCKITKJAK3
SCHEMBL6432745 0.96 BTK (0.64) BTKEGFRLCKITKJAK3
SCHEMBL6432266 0.95 BTK (0.62) BTKEGFRLCKITKJAK3
SCHEMBL7133348 0.89 BTK (0.64) BTKEGFRLCKITKJAK3
SCHEMBL6434970 0.89 BTK (0.66) BTKEGFRLCKITKJAK3
SCHEMBL6438149 0.85 BTK (0.70) BTKEGFRLCKITKJAK3
SCHEMBL6432923 0.84 BTK (0.65) BTKEGFRLCKITKJAK3
SCHEMBL6431323 0.84 BTK (0.67) BTKEGFRLCKITKJAK3
SCHEMBL5803146 0.84 BTK (0.59) BTKEGFRLCKITKJAK3

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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed