SCHEMBL19981666

SCHEMBL19981666

O=C(Nc1cc(-c2cc(Nc3ccncn3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)C1CCC2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.48
MPL P40238 8/20 0.36
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35
TEC P42680 1/20 0.35
BMX P51813 1/20 0.35
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL12025121 1.00 BTK (0.48) BTKMPLFGRSRCTEC
SCHEMBL12025120 1.00 BTK (0.48) BTKMPLFGRSRCTEC
SCHEMBL9985299 1.00 BTK (0.48) BTKMPLFGRSRCTEC
SCHEMBL12025119 0.84 MPL (0.35) BTKMPL
SCHEMBL19981727 0.84 MPL (0.35) BTKMPL
SCHEMBL12025215 0.84 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL12025103 0.84 MPL (0.35) BTKMPL
SCHEMBL2462052 0.83 BTK (0.64) BTKMPLFGRSRCTEC
SCHEMBL9984355 0.81 BTK (0.54) BTKMPL
SCHEMBL9984360 0.81 BTK (0.52) BTKMPLFGRSRCTEC

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed