SCHEMBL18733249

SCHEMBL18733249

O=C(NC[C@@H](C(=O)NCCC(=O)N1CCCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.56
JAK2 O60674 19/20 0.56
JAK3 P52333 19/20 0.56
TYK2 P29597 2/20 0.47

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
SCHEMBL18720814 0.88 JAK1 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL18732879 0.87 JAK1 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL18720790 0.87 JAK1 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL2460184 0.82 JAK1 (0.61) JAK1JAK2JAK3TYK2
SCHEMBL12299936 0.80 JAK1 (0.66) JAK1JAK2JAK3TYK2
SCHEMBL18720803 0.80 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL18720812 0.80 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL18720820 0.79 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL18733253 0.78 JAK1 (0.55) JAK1JAK2JAK3TYK2
SCHEMBL18732884 0.78 JAK1 (0.54) JAK1JAK2JAK3TYK2

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
WO-2017060470-A1 PYRROLOPYRAZINE DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO disclosed