SCHEMBL2459433

SCHEMBL2459433

Cc1c(-c2n[nH]c(=O)c(Nc3ccc(C4CCN(C)CC4)cn3)c2C)ccc(F)c1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.54
FGR P09769 1/20 0.54
SRC P12931 1/20 0.54
TEC P42680 1/20 0.54
BMX P51813 1/20 0.54
CCND1 P24385 4/20 0.40
CDK6 Q00534 4/20 0.40
CDK4 P11802 2/20 0.38
CCND3 P30281 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK2 P24941 1/20 0.37
BCL6 P41182 1/20 0.37
CCR1 P32246 1/20 0.36

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
SCHEMBL9984681 0.84 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2466505 0.80 BTK (0.65) BTKFGRSRCTECBMX
SCHEMBL2461862 0.80 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2463009 0.77 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2491727 0.75 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2464916 0.74 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2491884 0.73 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2462218 0.73 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2461953 0.72 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL19981722 0.72 BTK (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed