SCHEMBL7046503

SCHEMBL7046503

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)C(N2CCC(O)CC2)N2CCC(O)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.69
EGFR P00533 4/20 0.66
ITK Q08881 3/20 0.66
LCK P06239 2/20 0.66
TEC P42680 3/20 0.66
BMX P51813 3/20 0.66
TXK P42681 2/20 0.66
LYN P07948 2/20 0.66
FGFR2 P21802 2/20 0.66
BLK P51451 2/20 0.66
RIPK2 O43353 1/20 0.66
NR1I2 O75469 1/20 0.66
SLC22A3 O75751 1/20 0.66
LATS1 O95835 1/20 0.66
NUDT14 O95848 1/20 0.66
ABL1 P00519 1/20 0.66
ERBB2 P04626 1/20 0.66
FYN P06241 1/20 0.66
PGR P06401 1/20 0.66
CSF1R P07333 1/20 0.66

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
SCHEMBL7139793 0.90 BTK (0.68) BTKEGFRITKLCKTEC
SCHEMBL7141273 0.90 BTK (0.67) BTKEGFRITKLCKTEC
SCHEMBL6460065 0.87 BTK (0.69) BTKEGFRITKLCKTEC
SCHEMBL7144296 0.86 BTK (0.73) BTKEGFRITKLCKTEC
SCHEMBL6430741 0.84 BTK (0.82) BTKEGFRITKLCKTEC
SCHEMBL5801655 0.84 BTK (0.71) BTKEGFRITKLCKTEC
SCHEMBL7001715 0.84 BTK (0.82) BTKEGFRITKLCKTEC
SCHEMBL22243281 0.84 BTK (0.82) BTKEGFRITKLCKTEC
SCHEMBL22243244 0.84 BTK (0.82) BTKEGFRITKLCKTEC
SCHEMBL29441896 0.84 BTK (0.82) BTKEGFRITKLCKTEC

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