SCHEMBL18524705

SCHEMBL18524705

CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(Cc4ccon4)c4cc(Cl)ccc34)nc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.54
JAK2 O60674 7/20 0.41
JAK1 P23458 7/20 0.41
JAK3 P52333 6/20 0.41
TYK2 P29597 1/20 0.41
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL18524819 0.89 SYK (0.54) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738229 0.89 SYK (0.69) SYKJAK2JAK1JAK3TYK2
SCHEMBL18524806 0.88 SYK (0.58) SYKJAK2JAK1JAK3TYK2
SCHEMBL18524616 0.87 SYK (0.61) SYKJAK2JAK1JAK3TYK2
SCHEMBL18524810 0.85 SYK (0.57) SYKJAK2JAK1JAK3TYK2
SCHEMBL18524730 0.83 SYK (0.77) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738572 0.80 SYK (0.54) SYKJAK2JAK1JAK3TYK2
SCHEMBL18524694 0.79 SYK (0.48) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738727 0.79 SYK (0.49) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738115 0.78 SYK (0.69) SYKJAK2JAK1JAK3TYK2

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed