SCHEMBL19981710

SCHEMBL19981710

CC1=C(NC(=O)c2cc3ccccc3s2)C(F)=C(c2cc(Nc3ccc(N4CCNCC4=O)cn3)c(=O)n(C)n2)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.36
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BMX P51813 1/20 0.36
CDK4 P11802 3/20 0.36
CDK6 Q00534 3/20 0.36
F10 P00742 2/20 0.35
BCL6 P41182 1/20 0.34
TYK2 P29597 1/20 0.32
CCND1 P24385 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRNA7 P36544 1/20 0.31
HTR3A P46098 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
SCHEMBL2461586 0.84 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL2493454 0.83 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2493665 0.73 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL19981698 0.72 CDK4 (0.36) BTKCDK4CDK6
SCHEMBL2495235 0.70 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2462097 0.69 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL19971531 0.69 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL2495237 0.68 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL9984681 0.67 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2490839 0.66 BTK (0.53) 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 disclosed