SCHEMBL7983712

SCHEMBL7983712

Cc1cccc(Cl)c1-c1ncc2c(N)nc3cc(NC4CC4)ccc3n12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.39
PDE10A Q9Y233 3/20 0.39
ABL1 P00519 2/20 0.37
LCK P06239 4/20 0.34
FGFR1 P11362 3/20 0.33
MAPK14 Q16539 1/20 0.33
SRC P12931 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
NUDT1 P36639 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
WEE1 P30291 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDR P35968 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
SCHEMBL7980082 0.89 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL7983240 0.89 PDE2A (0.43) PDE2APDE10AABL1LCKFGFR1
SCHEMBL7981250 0.87 PDE2A (0.40) PDE2APDE10AABL1LCKFGFR1
SCHEMBL7983693 0.84 LCK (0.43) PDE2AABL1LCKFGFR1SRC
SCHEMBL7969762 0.82 LCK (0.46) PDE2APDE10AABL1LCKFGFR1
SCHEMBL7981780 0.81 NPC1 (0.43) PDE2AFGFR1
SCHEMBL7982709 0.80 LCK (0.53) PDE2ALCKFGFR1WEE1KDR
SCHEMBL7983214 0.79 LCK (0.51) LCKFGFR1SRCWEE1KDR
SCHEMBL7981128 0.79 LCK (0.54) LCKFGFR1SRCWEE1KDR
SCHEMBL7983558 0.79 LCK (0.39) PDE2ALCKFGFR1SRCTLR7

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed