SCHEMBL2224822

SCHEMBL2224822

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCC(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 1.00
TYK2 P29597 8/20 1.00
JAK3 P52333 8/20 1.00
CYP3A4 P08684 3/20 1.00
JAK2 O60674 6/20 0.79
KCNH2 Q12809 1/20 0.75

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
SCHEMBL22511889 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL21419615 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL12385674 1.00 JAK1 (1.00) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14643444 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605270 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605271 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14605269 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL14643446 0.94 JAK1 (0.89) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL12385607 0.93 JAK1 (0.88) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL2280828 0.93 JAK1 (0.88) JAK1TYK2JAK3CYP3A4JAK2

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
WO-2013007765-A1 FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO 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