SCHEMBL3362936

SCHEMBL3362936

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)C(O)CO)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.85
▸ EGFR P00533 3/20 0.74
▸ TEC P42680 3/20 0.74
▸ BMX P51813 3/20 0.74
▸ TXK P42681 2/20 0.74
▸ LYN P07948 2/20 0.74
▸ FGFR2 P21802 2/20 0.74
▸ ITK Q08881 2/20 0.74
▸ FLT3 P36888 2/20 0.74
▸ BLK P51451 2/20 0.74
▸ RIPK2 O43353 1/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ SLC22A3 O75751 1/20 0.74
▸ LATS1 O95835 1/20 0.74
▸ NUDT14 O95848 1/20 0.74
▸ ABL1 P00519 1/20 0.74
▸ ERBB2 P04626 1/20 0.74
▸ LCK P06239 1/20 0.74
▸ FYN P06241 1/20 0.74
▸ PGR P06401 1/20 0.74

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
SCHEMBL17457268 1.00 BTK (0.85) BTKEGFRTECBMXTXK
SCHEMBL3362233 1.00 BTK (0.85) BTKEGFRTECBMXTXK
SCHEMBL3361369 0.95 BTK (0.78) BTKEGFRFLT3KIT
SCHEMBL3361363 0.95 BTK (0.78) BTKEGFRFLT3KIT
SCHEMBL1614857 0.94 BTK (0.75) BTKEGFRTECBMXTXK
SCHEMBL13337309 0.93 BTK (0.84) BTKEGFRTECBMXTXK
SCHEMBL12713493 0.93 EGFR (0.73) BTKEGFRTECBMXTXK
SCHEMBL17951804 0.92 BTK (1.00) BTKEGFRTECBMXTXK
SCHEMBL19813125 0.92 BTK (0.86) BTKEGFRTECBMXTXK
SCHEMBL19813126 0.92 BTK (0.86) BTKEGFRTECBMXTXK

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-7718662-B1 Pyrazolo-pyrimidine inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2010-05-18 — — US disclosed
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