SCHEMBL7980015

SCHEMBL7980015

Nc1nc2ccc(NCCCN3CCOCC3)cc2n2c(-c3c(F)cccc3Cl)ncc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.52
PDE2A O00408 2/20 0.47
FGFR1 P11362 5/20 0.45
SRC P12931 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAP3K8 P41279 2/20 0.44
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 1/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7983613 0.95 LCK (0.51) LCKPDE2AFGFR1SRCL3MBTL1
SCHEMBL7983209 0.93 LCK (0.58) LCKPDE2AFGFR1SRCL3MBTL1
SCHEMBL7983672 0.91 FGFR1 (0.53) LCKFGFR1SRCMAP3K8FGFR2
SCHEMBL7983648 0.88 LCK (0.57) LCKPDE2AFGFR1SRCMAP3K8
SCHEMBL7987029 0.83 LCK (0.45) LCKPDE2AFGFR1KDR
SCHEMBL7982991 0.82 LCK (0.43) LCKPDE2AFGFR1SRCKDR
SCHEMBL7987537 0.81 LCK (0.42) LCKPDE2AFGFR1SRCKDR
SCHEMBL7969613 0.81 PDE2A (0.38) LCKPDE2ASMN1; SMN2
SCHEMBL7979828 0.81 LCK (0.48) LCKPDE2AFGFR1KDR
SCHEMBL7970503 0.80 CAMK2D (0.43) LCKPDE2A

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