SCHEMBL3260141

SCHEMBL3260141

CC1(C)OB(c2ccc(CN3CCN(CC(F)(F)F)CC3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.47
LIPG Q9Y5X9 8/20 0.47
F11 P03951 3/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
CHKA P35790 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL30899959 0.85 FFAR1 (0.48) LPLLIPGF11F2PRSS1
SCHEMBL15168853 0.84 LPL (0.41) LPLLIPGF11F2PRSS1
SCHEMBL5254853 0.83 LPL (0.55) LPLLIPGF11ESR2ALDH1A1
SCHEMBL429722 0.83 LMNA (0.53) LPLLIPGF11ESR2ALDH1A1
SCHEMBL1354581 0.83 LPL (0.54) LPLLIPGF11ALDH1A1KDM4E
SCHEMBL3319981 0.83 LPL (0.54) LPLLIPGF11ESR2ALDH1A1
SCHEMBL19211668 0.82 LPL (0.48) LPLLIPGF11F2PRSS1
SCHEMBL1428042 0.82 LPL (0.44) LPLLIPGF11F2PRSS1
SCHEMBL427977 0.81 HRH3 (0.56) LPLLIPGF11ALDH1A1KDM4E
SCHEMBL25275022 0.81 LIPG (0.40) LPLLIPGF11F2PRSS1

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed