SCHEMBL19997537

SCHEMBL19997537

CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.79
EGFR P00533 7/20 0.79
SRC P12931 2/20 0.73

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
SCHEMBL19997518 0.94 BTK (0.73) BTKEGFRSRC
SCHEMBL18600659 0.93 BTK (0.82) BTKEGFRSRC
SCHEMBL16336629 0.93 BTK (0.82) BTKEGFRSRC
SCHEMBL17430811 0.89 BTK (0.75) BTKEGFRSRC
SCHEMBL15670723 0.89 BTK (1.00) BTKEGFRSRC
SCHEMBL15756475 0.89 BTK (0.73) BTKEGFRSRC
SCHEMBL15756474 0.89 BTK (0.73) BTKEGFRSRC
SCHEMBL15670724 0.89 BTK (1.00) BTKEGFRSRC
SCHEMBL19419591 0.89 BTK (1.00) BTKEGFRSRC
SCHEMBL15472582 0.88 BTK (1.00) BTKEGFRSRC

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