SCHEMBL19981862

SCHEMBL19981862

Cn1nc(C2=C(CO)C(NC(=O)c3ccc(C(C)(C)C)cc3)=CCC2)cc(Nc2ccncn2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.39
CLK2 P49760 1/20 0.38
MAPK14 Q16539 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9985192 0.79 BTK (0.52) BTKCLK2
SCHEMBL104805 0.76 BTK (0.51) BTKCLK2
SCHEMBL15284347 0.66 BTK (0.77) BTK
SCHEMBL103773 0.66 BTK (0.52) BTKCLK2MAPT
SCHEMBL12650198 0.65 BTK (0.51) BTK
SCHEMBL1040406 0.65 BTK (0.69) BTKCLK2
SCHEMBL9985437 0.64 BTK (0.79) BTKCLK2
SCHEMBL104450 0.63 BTK (0.51) BTK
SCHEMBL103940 0.63 BTK (0.48) BTK
SCHEMBL1776878 0.63 BTK (0.54) BTK

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