SCHEMBL3361363

SCHEMBL3361363

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

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.78
▸ KIT P10721 1/20 0.68
▸ FLT3 P36888 1/20 0.68
▸ EGFR P00533 1/20 0.68

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
SCHEMBL3361369 1.00 BTK (0.78) BTKKITFLT3EGFR
SCHEMBL3362936 0.95 BTK (0.85) BTKKITFLT3EGFR
SCHEMBL3362233 0.95 BTK (0.85) BTKKITFLT3EGFR
SCHEMBL17457268 0.95 BTK (0.85) BTKKITFLT3EGFR
SCHEMBL13308556 0.93 BTK (0.76) BTKKITFLT3EGFR
SCHEMBL3366857 0.90 BTK (0.91) BTKKITFLT3EGFR
SCHEMBL1613927 0.90 BTK (0.67) BTKEGFR
SCHEMBL1614857 0.89 BTK (0.75) BTKKITFLT3EGFR
SCHEMBL13337309 0.88 BTK (0.84) BTKKITFLT3EGFR
SCHEMBL6430741 0.88 BTK (0.82) BTKKITFLT3EGFR

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-7741330-B1 Pyrazolo-pyrimidine inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2010-06-22 — — US disclosed
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