SCHEMBL1755322

SCHEMBL1755322

CC(C)Nc1ncnc2cc(O)c(C3OC(C)O3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CD38 P28907 1/20 0.39
EGFR P00533 8/20 0.36
KRAS P01116 2/20 0.35
SOS1 Q07889 2/20 0.35
RET P07949 4/20 0.34
KDR P35968 3/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
STK10 O94804 1/20 0.34
FLT3 P36888 1/20 0.34
JAK3 P52333 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
SLK Q9H2G2 1/20 0.34
RPS6KA6 Q9UK32 1/20 0.34
ALK Q9UM73 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
SCHEMBL1755315 0.78 LMNA (0.39) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL1708258 0.75 LMNA (0.61) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL1755296 0.75 LMNA (0.36) LMNAHTTSMN1; SMN2EGFRKRAS
SCHEMBL1706562 0.73 LMNA (0.51) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL1707249 0.73 EGFR (0.58) LMNAHTTSMN1; SMN2EGFRKRAS
SCHEMBL1708313 0.72 LMNA (0.54) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL12935442 0.72 LMNA (0.50) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL1707037 0.72 LMNA (0.50) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL1707023 0.69 HTT (0.56) LMNAHTTSMN1; SMN2CD38EGFR
SCHEMBL27409854 0.68 LMNA (0.59) LMNAHTTSMN1; SMN2CD38EGFR

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
EP-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
WO-2009089851-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-23 WO disclosed