SCHEMBL8292091

SCHEMBL8292091

CC(C)OC(=O)C(=N)c1cccnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 6/20 0.36
GRM5 P41594 2/20 0.35
GRM1 Q13255 2/20 0.35
SLC18A3 Q16572 1/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL9944381 0.81 NAPRT (0.56) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL4829341 0.79 NAPRT (0.46) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL1811012 0.73 NAPRT (0.68) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL4406065 0.73 NAPRT (0.58) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL8020133 0.73 NAPRT (0.61) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL21209660 0.72 NAPRT (0.56) NAPRTMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1034880 0.71 NAPRT (0.63) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL2416419 0.70 NAPRT (0.58) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL17106631 0.70 NAPRT (0.62) NAPRTMAPTLMNAKMT2ANPSR1
SCHEMBL27612856 0.69 NAPRT (0.73) NAPRTMAPTLMNAKMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 WO disclosed