SCHEMBL7383565

SCHEMBL7383565

NC(=O)N1CC[C@](Cc2csc3ccnc(N)c23)(OC(=O)C(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 2/20 0.36
EIF2AK1 Q9BQI3 1/20 0.33
KDR P35968 6/20 0.32
AURKB Q96GD4 3/20 0.32
ROCK2 O75116 2/20 0.32
MAP4K4 O95819 2/20 0.32
LCK P06239 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT1 P17948 2/20 0.32
AXL P30530 2/20 0.32
FLT4 P35916 2/20 0.32
FLT3 P36888 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CSNK1D P48730 2/20 0.32
IRAK1 P51617 2/20 0.32
CSNK1G2 P78368 2/20 0.32
MAP4K2 Q12851 2/20 0.32
ROCK1 Q13464 2/20 0.32
CAMK2B Q13554 2/20 0.32
NTRK2 Q16620 2/20 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
SCHEMBL7382750 0.87
SCHEMBL7379461 0.81
SCHEMBL7375870 0.80
SCHEMBL7379899 0.80 KLKB1 (0.33) ROCK1
SCHEMBL7374815 0.73 SLC22A12 (0.31)
SCHEMBL7378268 0.73 CYP2A6 (0.38) KDRAURKBMAP4K4FGFR1FLT1
SCHEMBL7368812 0.73 NR4A2 (0.31)
SCHEMBL7375448 0.73 NCF1 (0.32)
SCHEMBL7379895 0.71 HSP90AB1 (0.35)
SCHEMBL7379420 0.71 P2RY12 (0.34)

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
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed