SCHEMBL18534839

SCHEMBL18534839

CNc1ccc(C2CC2)cc1C(=N)c1cnc2[nH]cc(C(=O)NC(C)COC)c2n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.50
JAK2 O60674 16/20 0.50
JAK1 P23458 16/20 0.50
SYK P43405 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL18534642 1.00 JAK3 (0.50) JAK3JAK2JAK1SYKPDE10A
SCHEMBL18534522 0.91 JAK3 (0.56) JAK3JAK2JAK1SYK
SCHEMBL18534843 0.89 JAK3 (0.49) JAK3JAK2JAK1SYKPDE10A
SCHEMBL18534430 0.84 JAK3 (0.56) JAK3JAK2JAK1SYK
SCHEMBL18534664 0.84 JAK3 (0.47) JAK3JAK2JAK1SYK
SCHEMBL18534665 0.84 JAK3 (0.47) JAK3JAK2JAK1SYK
SCHEMBL18535114 0.83 SYK (0.50) JAK3SYK
SCHEMBL18534999 0.82 JAK3 (0.46) JAK3JAK2JAK1SYK
SCHEMBL18534629 0.82 JAK3 (0.46) JAK3JAK2JAK1SYK
SCHEMBL18534622 0.82 JAK3 (0.46) 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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed