SCHEMBL2279548

SCHEMBL2279548

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCNC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.76
JAK2 O60674 7/20 0.76
TYK2 P29597 7/20 0.69
JAK3 P52333 7/20 0.69
CYP3A4 P08684 3/20 0.69
KCNH2 Q12809 1/20 0.64

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
SCHEMBL2279545 1.00 JAK1 (0.76) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2272077 0.94 JAK1 (0.79) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2224758 0.94 JAK1 (0.79) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2272083 0.94 JAK1 (0.79) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2224766 0.94 JAK1 (0.79) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2275785 0.94 JAK1 (0.82) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2225527 0.87 JAK1 (0.98) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL14643590 0.86 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL14643584 0.86 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2225034 0.86 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed