SCHEMBL13689482

SCHEMBL13689482

CCCc1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.57
SYK P43405 5/20 0.43
CYP2D6 P10635 2/20 0.43
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
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
SCHEMBL2277530 0.92 JAK3 (0.57) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL1634076 0.92 JAK3 (0.58) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2279878 0.90 JAK3 (0.55) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2348644 0.90 JAK3 (0.55) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2276633 0.89 JAK3 (0.58) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2279840 0.88 JAK3 (0.58) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL12449857 0.88 JAK3 (0.44) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2279651 0.87 JAK3 (0.56) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2280912 0.86 JAK3 (0.55) JAK3SYKCYP2D6MAPK1JAK2
SCHEMBL2274976 0.85 JAK3 (0.59) JAK3SYKCYP2D6MAPK1

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
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed