SCHEMBL7983693

SCHEMBL7983693

CCNc1ccc2c(c1)nc(N)c1cnc(-c3c(C)cccc3Cl)n12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
PDE2A O00408 2/20 0.38
TLR7 Q9NYK1 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
FGFR1 P11362 3/20 0.35
KDR P35968 1/20 0.35
DHFR P00374 2/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ABL1 P00519 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
SCHEMBL7983062 0.92 LCK (0.50) LCKPDE2ATLR7FGFR1KDR
SCHEMBL7981250 0.89 PDE2A (0.40) LCKPDE2ATLR7FGFR1SRC
SCHEMBL7981780 0.88 NPC1 (0.43) PDE2ANPC1RAB9AFGFR1DHFR
SCHEMBL7982709 0.88 LCK (0.53) LCKPDE2AFGFR1KDR
SCHEMBL7981128 0.86 LCK (0.54) LCKFGFR1KDRSRC
SCHEMBL7982930 0.85 LCK (0.51) LCKPDE2AFGFR1KDRSRC
SCHEMBL7983253 0.85 KDM4E (0.52) NPC1RAB9AEGFRTP53GAA
SCHEMBL7983214 0.84 LCK (0.51) LCKFGFR1KDREGFRSRC
SCHEMBL7983712 0.84 PDE2A (0.39) LCKPDE2ATLR7FGFR1KDR
SCHEMBL7969762 0.84 LCK (0.46) LCKPDE2ATLR7NPC1RAB9A

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