SCHEMBL2274497

SCHEMBL2274497

c1ccc(CN2CCCC(n3cnc4cnc5[nH]ccc5c43)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 1.00
JAK2 O60674 11/20 1.00
JAK3 P52333 9/20 1.00
TYK2 P29597 8/20 1.00
AURKA O14965 1/20 0.63
PRKCA P17252 1/20 0.63
KDR P35968 1/20 0.63

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
SCHEMBL2274489 1.00 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12384916 1.00 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2278923 0.94 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2278925 0.94 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12384950 0.91 JAK1 (0.83) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12385234 0.90 JAK1 (0.82) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12384974 0.90 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12384958 0.89 JAK1 (0.81) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12384961 0.89 JAK1 (0.80) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2292400 0.88 JAK1 (0.78) JAK1JAK2JAK3TYK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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