SCHEMBL2223889

SCHEMBL2223889

Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](N)C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.76
JAK1 P23458 19/20 0.76
AURKA O14965 1/20 0.71
PRKCA P17252 1/20 0.71
KDR P35968 1/20 0.71
TYK2 P29597 2/20 0.70
JAK3 P52333 2/20 0.70

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
SCHEMBL12385279 0.93 JAK1 (0.80) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2223442 0.93 JAK1 (0.80) JAK2JAK1AURKAPRKCAKDR
SCHEMBL12385427 0.89 JAK2 (0.90) JAK2JAK1AURKAPRKCAKDR
SCHEMBL12385519 0.85 JAK1 (1.00) JAK2JAK1AURKAPRKCAKDR
SCHEMBL12385554 0.85 JAK1 (1.00) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2298470 0.85 JAK1 (1.00) JAK2JAK1AURKAPRKCAKDR
SCHEMBL14643447 0.84 JAK1 (0.77) JAK2JAK1TYK2JAK3
SCHEMBL14643443 0.84 JAK1 (0.77) JAK2JAK1TYK2JAK3
SCHEMBL2282049 0.83 JAK2 (1.00) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2224086 0.82 JAK2 (1.00) JAK2JAK1AURKAPRKCAKDR

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-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
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed