SCHEMBL19997516

SCHEMBL19997516

C=CC(O)N1CCC[C@@H](n2nc(N)c(C(N)=O)c2-c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.55
EGFR P00533 8/20 0.55
SRC P12931 3/20 0.51
TEC P42680 3/20 0.47
BMX P51813 3/20 0.47
TXK P42681 2/20 0.47
LYN P07948 2/20 0.47
FGFR2 P21802 2/20 0.47
ITK Q08881 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KCNH2 Q12809 2/20 0.47
RIPK2 O43353 1/20 0.47
NR1I2 O75469 1/20 0.47
SLC22A3 O75751 1/20 0.47
LATS1 O95835 1/20 0.47
NUDT14 O95848 1/20 0.47
ABL1 P00519 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL18889455 0.86 BTK (0.74) BTKEGFRSRC
SCHEMBL15756407 0.85 BTK (0.75) BTKEGFRSRCTECBMX
SCHEMBL17181775 0.85 BTK (0.75) BTKEGFRSRCTECBMX
SCHEMBL28025120 0.79 BTK (0.50) BTKEGFRSRCITKLCK
SCHEMBL15756478 0.79 BTK (0.55) BTKEGFRSRCITKLCK
SCHEMBL15756477 0.79 BTK (0.55) BTKEGFRSRCITKLCK
SCHEMBL20007619 0.78 BTK (0.74) BTK
SCHEMBL17181755 0.77 BTK (0.49) BTKEGFRSRC
SCHEMBL17181756 0.77 BTK (0.49) BTKEGFRSRC
SCHEMBL21398244 0.76 BTK (0.73) BTKEGFRSRCTECBMX

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-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed