SCHEMBL20969009

SCHEMBL20969009

C=CC(=O)NC1CCCN(c2cnc(Oc3ccc(Oc4cccc(F)c4)cc3)c(C(=O)O)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.55
EGFR P00533 3/20 0.41

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
SCHEMBL16670804 0.93 BTK (0.60) BTK
SCHEMBL16671838 0.90 BTK (0.49) BTKEGFR
SCHEMBL16670016 0.88 BTK (0.59) BTK
SCHEMBL16671599 0.86 BTK (0.71) BTKEGFR
SCHEMBL16670904 0.85 BTK (0.49) BTK
SCHEMBL16671781 0.84 BTK (0.49) BTK
SCHEMBL16671783 0.84 BTK (0.49) BTK
SCHEMBL18045006 0.83 PPARA (0.41) BTK
SCHEMBL18044915 0.83 BTK (0.55) BTK
SCHEMBL16671576 0.83 BTK (0.51) BTKEGFR

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-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed