SCHEMBL7987014

SCHEMBL7987014

Cc1cccc(Cl)c1-c1ncc2c(N)nc3cc(NCCCN(C)c4ccccc4)ccc3n12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.45
CDK9 P50750 1/20 0.38
FGFR1 P11362 5/20 0.37
KDR P35968 2/20 0.37
WEE1 P30291 3/20 0.34
SRC P12931 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
ADK P55263 1/20 0.32
PDE2A O00408 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
SCHEMBL7981128 0.91 LCK (0.54) LCKFGFR1KDRWEE1SRC
SCHEMBL7982930 0.88 LCK (0.51) LCKCDK9FGFR1KDRWEE1
SCHEMBL7983214 0.87 LCK (0.51) LCKCDK9FGFR1KDRWEE1
SCHEMBL7982709 0.87 LCK (0.53) LCKFGFR1KDRWEE1PDE2A
SCHEMBL7981780 0.83 NPC1 (0.43) FGFR1PDE2A
SCHEMBL7983693 0.82 LCK (0.43) LCKFGFR1KDRSRCTLR7
SCHEMBL7983879 0.81 FGFR1 (0.55) LCKFGFR1KDRSRC
SCHEMBL7979955 0.80 LCK (0.54) LCKFGFR1KDRPDE2A
SCHEMBL7981250 0.79 PDE2A (0.40) LCKFGFR1WEE1SRCTLR7
SCHEMBL7969620 0.78 KDM4E (0.42) LCKFGFR1KDRPDE2A

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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed