SCHEMBL2345663

SCHEMBL2345663

Cc1cnc(-c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.56
MAPK1 P28482 1/20 0.41
SYK P43405 5/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2344452 0.85 JAK3 (0.59) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2280877 0.85 JAK3 (0.61) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2279686 0.84 JAK3 (0.57) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2279333 0.83 JAK3 (0.61) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2271746 0.82 JAK3 (0.57) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2278825 0.82 JAK3 (0.60) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2276224 0.82 JAK3 (0.58) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2271733 0.82 JAK3 (0.60) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL2280567 0.82 JAK3 (0.60) JAK3MAPK1SYKCYP2D6CYP2C9
SCHEMBL1895617 0.82 JAK3 (0.60) JAK3MAPK1SYKCYP2D6CYP2C9

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
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed