SCHEMBL7984167

SCHEMBL7984167

CCOC(=O)/C=C/c1ncc2c(N(C(=O)OC(C)(C)C)c3c(C)cccc3Cl)nc3cc(OC)c(OC)cc3n12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.44
FDPS P14324 1/20 0.33
DPP4 P27487 1/20 0.33
BRD4 O60885 6/20 0.32
PDE4B Q07343 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B1 P14061 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL7984171 1.00 LCK (0.44) LCKFDPSDPP4BRD4PDE4B
SCHEMBL7983073 0.88 LCK (0.57) LCKBRD4
SCHEMBL7984150 0.86 LCK (0.47) LCKBRD4
SCHEMBL7987020 0.85 LCK (0.44) LCKBRD4
SCHEMBL7986958 0.85 LCK (0.44) LCKBRD4
SCHEMBL7986998 0.83 LCK (0.48) LCKBRD4
SCHEMBL7980656 0.81 LCK (0.48) LCKBRD4
SCHEMBL7983009 0.77 LCK (0.53) LCK
SCHEMBL7981177 0.72 LCK (0.46) LCK
SCHEMBL7981461 0.72 LCK (0.46) LCK

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed