SCHEMBL12440686

SCHEMBL12440686

Bc1cnc2[nH]cc(C(=O)C3(C)CCCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.41
JAK2 O60674 7/20 0.41
JAK1 P23458 7/20 0.41
SYK P43405 3/20 0.39

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
SCHEMBL12401528 0.99 JAK3 (0.40) JAK3JAK2JAK1SYK
SCHEMBL13689712 0.99 JAK3 (0.40) JAK3JAK2JAK1SYK
SCHEMBL649072 0.85 MAPK1 (0.44) JAK3JAK2JAK1SYK
SCHEMBL651420 0.84 MAPK1 (0.43) JAK3JAK2JAK1SYK
SCHEMBL648945 0.84 MAPK1 (0.43) JAK3JAK2JAK1SYK
SCHEMBL12400305 0.79 JAK3 (0.40) JAK3JAK2JAK1
SCHEMBL12441451 0.78 JAK3 (0.39) JAK3JAK2JAK1
SCHEMBL3060951 0.76 SYK (0.40) JAK3JAK2JAK1SYK
SCHEMBL2273795 0.76 SYK (0.40) JAK3JAK2JAK1SYK
SCHEMBL3066002 0.76 JAK3 (0.43) JAK3JAK2JAK1SYK

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-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed