SCHEMBL1710489

SCHEMBL1710489

Cc1cc(F)c(C(N)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
F11 P03951 3/20 0.34
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32
NNMT P40261 1/20 0.32
ROCK1 Q13464 1/20 0.32
ROCK2 O75116 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
LIPE Q05469 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
CA1 P00915 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
SCHEMBL26670863 0.94 DGAT1 (0.35) DGAT1F11F2PRSS1PRSS2
SCHEMBL17873998 0.87 RXRA (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL20519911 0.86 NNMT (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL17165833 0.85 DGAT1 (0.37) DGAT1F11F2PRSS1PRSS2
SCHEMBL16113731 0.83 UCHL1 (0.34) JAK2BTKROCK1LIPECA1
SCHEMBL22468536 0.83 GAA (0.37) JAK2BTKROCK1LIPE
SCHEMBL10059440 0.81 RXRA (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL26153576 0.79 LPL (0.39) JAK2BTKLPLLIPG
SCHEMBL31356893 0.78 PDGFRB (0.31) PDGFRBKDR
SCHEMBL22468556 0.78 MAPK14 (0.44) L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 WO disclosed