SCHEMBL15569702

SCHEMBL15569702

CCCCc1nc2[nH]cc(C(N)=O)c2nc1Nc1cc(C)ns1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.56
JAK3 P52333 5/20 0.35
BTK Q06187 5/20 0.35
LCK P06239 4/20 0.35
AURKA O14965 3/20 0.33
AURKB Q96GD4 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL15569830 0.79 SYK (0.45) SYKJAK3
SCHEMBL15569920 0.76 SYK (0.74) SYKJAK3BTKLCKAURKA
SCHEMBL15569838 0.71 SYK (1.00) SYK
SCHEMBL15570000 0.68 SYK (1.00) SYK
Hydrochloric Acid SCHEMBL27979068 0.64 BTK (0.40) SYKJAK3BTKLCKAURKA
SCHEMBL14976555 0.64 SYK (0.58) SYK
SCHEMBL14976556 0.64 SYK (0.58) SYK
Hydrochloric Acid SCHEMBL27979028 0.63 BTK (0.44) JAK3BTKLCKAURKAGABRP
SCHEMBL9108450 0.63 BTK (0.37) SYKJAK3BTKLCKIRAK4
SCHEMBL5027979 0.63 BTK (0.37) SYKJAK3BTKLCKIRAK4

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