SCHEMBL15569830

SCHEMBL15569830

CCCCc1nc2[nH]cc(C(N)=O)c2nc1Nc1cnc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.45
HSD11B1 P28845 1/20 0.35
JAK3 P52333 4/20 0.34
XDH P47989 1/20 0.32
NNMT P40261 1/20 0.32
JAK1 P23458 2/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL15569702 0.79 SYK (0.56) SYKJAK3
SCHEMBL15569828 0.70 SYK (0.67) SYKJAK3
Hydrochloric Acid SCHEMBL27979028 0.65 BTK (0.44) JAK3JAK2
Hydrochloric Acid SCHEMBL27979068 0.65 BTK (0.40) SYKJAK3
SCHEMBL30502905 0.65 NNMT (0.40) SYKJAK3NNMTJAK1JAK2
SCHEMBL15569933 0.64 SYK (0.72) SYKJAK3JAK2
SCHEMBL27491593 0.64 GABRP (0.55) NNMT
SCHEMBL30945485 0.63 HSD11B1 (0.45) SYKHSD11B1JAK3NNMTJAK1
SCHEMBL15569686 0.62 SYK (1.00) SYK
SCHEMBL27815355 0.62 GABRP (0.42) XDH

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-2888262-A1 PYRROLO[2,3-B]PYRAZINES AS SYK INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-07-01 EP disclosed
WO-2014029732-A1 PYRROLO[2,3-B]PYRAZINES AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 WO disclosed