SCHEMBL6541865

SCHEMBL6541865

CCOC(=O)C(N)C(OCC)(P=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
PGR P06401 1/20 0.37
THRB P10828 1/20 0.37
ADRB3 P13945 1/20 0.37
OPRK1 P41145 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37

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
SCHEMBL6541858 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL11760691 0.73 SMN1; SMN2 (0.48) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL28054874 0.70 SMN1; SMN2 (0.41) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL19124537 0.69 LMNA (0.46) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL6120105 0.69 LMNA (0.42) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL8329339 0.68 LMNA (0.47) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL3134099 0.68 SMN1; SMN2 (0.48) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL3243742 0.68 SMN1; SMN2 (0.62) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL28403527 0.68 LMNA (0.47) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL28293342 0.68 LMNA (0.47) SMN1; SMN2MEN1GAAKMT2ALMNA

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
EP-1408980-A4 NOVEL QUINAZOLINES AND USES THEREOF ARIAD PHARMA INC (US) 2004-10-20 EP disclosed
EP-1408980-A2 NOVEL QUINAZOLINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
WO-2003000188-A2 NOVEL QUINAZOLINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed