SCHEMBL19981663

SCHEMBL19981663

C/C1=C/C(C(C)(C)C)=C\N=C(\C(=O)Nc2cc(-c3cc(Nc4ccncn4)c(=O)[nH]n3)ccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.41
MPL P40238 9/20 0.33
EGFR P00533 1/20 0.31
FGR P09769 1/20 0.31
SRC P12931 1/20 0.31
TEC P42680 1/20 0.31
BMX P51813 1/20 0.31

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
SCHEMBL2459218 0.80 KIT (0.48) BTKMPLSRC
SCHEMBL2466471 0.79 BTK (0.45) BTKMPLSRC
SCHEMBL9985149 0.78 BTK (0.43) BTKMPLSRC
SCHEMBL2461976 0.78 BTK (0.50) BTKMPLEGFR
SCHEMBL9984355 0.75 BTK (0.54) BTKMPL
SCHEMBL9984360 0.75 BTK (0.52) BTKMPLFGRSRCTEC
SCHEMBL2464530 0.74 MPL (0.43) BTKMPLSRC
SCHEMBL2462052 0.74 BTK (0.64) BTKMPLFGRSRCTEC
SCHEMBL19981736 0.73 BTK (0.39) BTKMPLEGFR
SCHEMBL12025120 0.72 BTK (0.48) 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