SCHEMBL18700152

SCHEMBL18700152

NC(=O)c1c(-c2ccc(Oc3ccc(F)cc3F)cc2)nn([C@@H]2CCCN(C=O)C2)c1N

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.78
EGFR P00533 11/20 0.78
SRC P12931 8/20 0.78
BMX P51813 1/20 0.77
NR4A3 Q92570 1/20 0.77

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
SCHEMBL18700113 1.00 BTK (0.78) BTKEGFRSRCBMXNR4A3
SCHEMBL18700114 0.87 BTK (0.60) BTKEGFRSRCBMXNR4A3
SCHEMBL17173959 0.87 BTK (1.00) BTKEGFRSRC
SCHEMBL15670542 0.87 BTK (1.00) BTKEGFRSRC
SCHEMBL15670114 0.87 BTK (1.00) BTKEGFRSRC
SCHEMBL24413606 0.87 BTK (0.75) BTKEGFRSRCBMXNR4A3
SCHEMBL15669535 0.87 BTK (1.00) BTKEGFRSRCBMXNR4A3
SCHEMBL15669886 0.87 BTK (1.00) BTKEGFRSRCBMXNR4A3
SCHEMBL15691525 0.87 BTK (1.00) BTKEGFRSRCBMXNR4A3
SCHEMBL19424176 0.87 BTK (0.77) BTKEGFRSRCBMXNR4A3

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
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed