SCHEMBL19981866

SCHEMBL19981866

CC1=CC(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)[C@H]4CC[C@@H]5C4)c3)n[nH]c2=O)N(C)N1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.45
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
P2RX7 Q99572 1/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL12025215 0.82 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL12025120 0.78 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL12025121 0.78 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL19981666 0.78 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9985299 0.78 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL1423849 0.69 BTK (0.51) BTK
SCHEMBL12045182 0.69 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2492576 0.68 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2492502 0.68 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL1422358 0.68 BTK (0.40) 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