SCHEMBL7981412

SCHEMBL7981412

Cc1cccc(C)c1-c1ncc2c(N)nc3ccc(N)cc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.40
TLR7 Q9NYK1 5/20 0.40
MAP4K4 O95819 1/20 0.38
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7983002 0.91 LCK (0.46) LCKTLR7FGFR1SRCATM
SCHEMBL7981389 0.87 FGFR1 (0.41) LCKTLR7FGFR1SRCKDM4E
SCHEMBL8472487 0.85 LCK (0.41) LCKTLR7FGFR1SRCKDM4E
SCHEMBL8469307 0.82 LCK (0.44) LCKTLR7KDM4EALDH1A1POLB
SCHEMBL7969762 0.81 LCK (0.46) LCKTLR7FGFR1SRCKDM4E
SCHEMBL7983558 0.78 LCK (0.39) LCKTLR7FGFR1SRC
SCHEMBL7970134 0.77 LCK (0.43) LCKTLR7FGFR1SRCALDH1A1
SCHEMBL7983062 0.75 LCK (0.50) LCKTLR7FGFR1
SCHEMBL7983625 0.73 TLR7 (0.38) LCKTLR7MAP4K4FGFR1ALDH1A1
SCHEMBL7983240 0.72 PDE2A (0.43) LCKFGFR1KDM4EALDH1A1GRM1

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