SCHEMBL7981267

SCHEMBL7981267

COc1cc2c(cc1OCCCN1CCOCC1)nc(Nc1c(F)cccc1Cl)c1cncn12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.79
EGFR P00533 5/20 0.54
ERBB2 P04626 2/20 0.51
KDR P35968 6/20 0.51
SRC P12931 5/20 0.51
RET P07949 2/20 0.51
FLT4 P35916 2/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
ABCC4 O15439 1/20 0.51
DAPK3 O43293 1/20 0.51
RIPK2 O43353 1/20 0.51
NR1I2 O75469 1/20 0.51
RPS6KA4 O75676 1/20 0.51
STK17B O94768 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51
ABCB11 O95342 1/20 0.51
MAP4K4 O95819 1/20 0.51

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
SCHEMBL7981107 0.96 LCK (0.85) LCKEGFRKDRSRCRET
SCHEMBL7969589 0.94 LCK (0.70) LCKEGFRERBB2
SCHEMBL7970742 0.92 LCK (0.93) LCK
SCHEMBL7979668 0.90 LCK (0.75) LCKSRC
SCHEMBL7987001 0.88 LCK (1.00) LCK
SCHEMBL7980325 0.88 LCK (1.00) LCK
SCHEMBL7987285 0.85 LCK (0.80) LCK
SCHEMBL7983711 0.85 LCK (0.94) LCKSRC
SCHEMBL7980264 0.85 LCK (0.75) LCK
SCHEMBL7982912 0.84 LCK (0.76) LCK

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