SCHEMBL27697191

SCHEMBL27697191

CC(c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc(C#N)c3)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.68
MTOR P42345 3/20 0.47
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MAP3K11 Q16584 3/20 0.43
ATR Q13535 2/20 0.43
PRKDC P78527 1/20 0.43
USP1 O94782 1/20 0.41
XDH P47989 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.38
GRM2 Q14416 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4167630 1.00 FYN (0.68) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481843 0.89 FYN (0.60) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481842 0.89 FYN (0.60) FYNMTORJAK2JAK3MAP3K11
SCHEMBL975509 0.86 FYN (0.72) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481671 0.85 FYN (0.71) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481669 0.85 FYN (0.71) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481394 0.83 FYN (0.75) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481311 0.82 FYN (0.68) FYNMTORMAP3K11ATRPRKDC
SCHEMBL4270853 0.82 FYN (0.70) FYNMTORGRIN1GRIN2BMAP3K11
SCHEMBL481854 0.81 FYN (0.66) FYNMTORJAK2MAP3K11ATR

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
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN claimed
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN disclosed