SCHEMBL7983558

SCHEMBL7983558

CNc1ccc2nc(N)c3cnc(-c4c(C)cccc4Cl)n3c2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.39
PDE2A O00408 3/20 0.38
SRC P12931 3/20 0.36
FGFR1 P11362 2/20 0.36
TLR7 Q9NYK1 1/20 0.34
IKBKB O14920 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL7981250 0.91 PDE2A (0.40) LCKPDE2ASRCFGFR1TLR7
SCHEMBL7983062 0.89 LCK (0.50) LCKPDE2AFGFR1TLR7
SCHEMBL7984047 0.89 LCK (0.37) LCKPDE2ASRCFGFR1TLR7
SCHEMBL7983002 0.86 LCK (0.46) LCKPDE2ASRCFGFR1TLR7
SCHEMBL7983240 0.85 PDE2A (0.43) LCKPDE2AFGFR1
SCHEMBL7979955 0.84 LCK (0.54) LCKPDE2AFGFR1
SCHEMBL7970474 0.84 LCK (0.39) LCKPDE2AFGFR1
SCHEMBL7969906 0.82 LCK (0.37) LCKPDE2A
SCHEMBL7969597 0.81 PDE2A (0.46) LCKPDE2AFGFR1
SCHEMBL7981389 0.80 FGFR1 (0.41) LCKPDE2ASRCFGFR1TLR7

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 2 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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed