SCHEMBL19981777

SCHEMBL19981777

O=C(Nc1cc(-c2cc(Nc3ccc(CN4CCC(O)C4)cn3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)=CCCC=2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.48
WDR5 P61964 1/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BMX P51813 1/20 0.36
F10 P00742 1/20 0.35
PDGFRB P09619 3/20 0.35
KDR P35968 3/20 0.35
HTR2C P28335 3/20 0.35
MCHR1 Q99705 3/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32

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
SCHEMBL2493858 0.89 BTK (0.59) BTKWDR5PDCD1CD274FGR
SCHEMBL19981684 0.86 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981660 0.81 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981771 0.80 BTK (0.50) BTKFGRSRCTECBMX
SCHEMBL2491712 0.80 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL19981864 0.80 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2493503 0.78 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL19981754 0.78 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL19981682 0.76 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL2527943 0.75 BTK (0.61) 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