SCHEMBL3985900

SCHEMBL3985900

NC(=O)c1cncc2c1NCCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.50
▸ MAPK8 P45983 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP11B2 P19099 6/20 0.36
▸ PARP1 P09874 4/20 0.36
▸ SRC P12931 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL5535285 0.75 SRC (0.50) NNMTMAPK8CSNK1A1LIMK1MAP2K1
SCHEMBL30951795 0.75 SIRT3 (0.41) NNMTMAPK8CSNK1A1LIMK1MAP2K1
SCHEMBL30450524 0.74 SIRT3 (0.43) NNMTSIRT3TDP1CYP11B2PARP1
Hydrochloric Acid SCHEMBL21331756 0.73 NNMT (0.37) NNMTPARP1SRCSIGMAR1
SCHEMBL27098457 0.70 UHRF1 (0.37) NNMTTDP1CYP11B2SRCKDM4E
SCHEMBL9175188 0.69 NNMT (0.51) NNMTMAPK8CSNK1A1LIMK1MAP2K1
SCHEMBL30951792 0.68 SIRT3 (0.41) NNMTMAPK8CSNK1A1LIMK1MAP2K1
SCHEMBL25450371 0.67 SIGMAR1 (0.33) NNMTTDP1SIGMAR1
SCHEMBL25787747 0.67 NNMT (1.00) NNMTCYP11B2KDM4EMAPT
SCHEMBL9175444 0.65 KDM4E (0.43) NNMTMAPK8CSNK1A1LIMK1PRKAA1

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
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 — — WO claimed
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