SCHEMBL3425831

SCHEMBL3425831

Cc1ccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.55
JAK2 O60674 1/20 0.44
SYK P43405 5/20 0.43
CYP2C9 P11712 1/20 0.42
NTRK1 P04629 1/20 0.41

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
SCHEMBL1895617 0.83 JAK3 (0.60) JAK3SYKCYP2C9NTRK1
SCHEMBL2275123 0.82 JAK3 (0.62) JAK3SYKCYP2C9
SCHEMBL2276612 0.82 JAK3 (0.55) JAK3SYKCYP2C9
SCHEMBL1713150 0.82 JAK3 (0.49) JAK3SYKCYP2C9
SCHEMBL2343991 0.82 JAK3 (0.59) JAK3SYKCYP2C9
SCHEMBL2280995 0.81 JAK3 (0.61) JAK3JAK2SYKCYP2C9
SCHEMBL2278825 0.81 JAK3 (0.60) JAK3JAK2SYKCYP2C9
SCHEMBL2278519 0.81 JAK3 (0.46) JAK3SYK
SCHEMBL2273969 0.81 JAK3 (0.58) JAK3SYKCYP2C9
SCHEMBL2277589 0.81 JAK3 (0.60) JAK3SYKCYP2C9

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-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed