SCHEMBL18524802

SCHEMBL18524802

CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4ccc(C(C)O)cc34)nc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.54
JAK2 O60674 7/20 0.45
JAK1 P23458 7/20 0.45
JAK3 P52333 7/20 0.45
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL18524829 0.90 SYK (0.56) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14737455 0.87 SYK (0.71) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524830 0.87 SYK (0.66) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524577 0.86 JAK2 (0.52) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524848 0.85 SYK (0.58) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524527 0.84 SYK (0.58) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524730 0.84 SYK (0.77) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524679 0.83 SYK (0.56) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524811 0.81 SYK (0.58) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL18524523 0.79 SYK (0.49) SYKJAK2JAK1JAK3CYP2C9

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