SCHEMBL19971498

SCHEMBL19971498

Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)n(CO)n2)ccc(F)c1NC(=O)C1=CC=C[SH]1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.52
FGR P09769 1/20 0.52
SRC P12931 1/20 0.52
TEC P42680 1/20 0.52
BMX P51813 1/20 0.52
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL19971520 0.81 BTK (0.56) BTKFGRSRCTECBMX
SCHEMBL9984792 0.81 BTK (0.77) BTKFGRSRCTECBMX
SCHEMBL9983854 0.73 BTK (0.80) BTKFGRSRCTECBMX
SCHEMBL12026211 0.70 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2491369 0.69 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2528678 0.69 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL9984772 0.68 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2494374 0.66 BTK (0.88) BTKFGRSRCTECBMX
SCHEMBL9984991 0.66 BTK (0.88) BTKFGRSRCTECBMX
SCHEMBL2492092 0.66 BTK (0.81) BTKFGRSRCTECBMX

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 claimed