SCHEMBL5533170

SCHEMBL5533170

CC(C)Cn1cnc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
CPB2 Q96IY4 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
TGFBR1 P36897 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL24329784 0.79
SCHEMBL20702575 0.75 ALDH1A1 (0.37) CPB2
SCHEMBL23118112 0.75 ALDH1A1 (0.37) CPB2
SCHEMBL23118113 0.75 ALDH1A1 (0.37) CPB2
SCHEMBL23139176 0.73 KMT2A (0.36) CPB2KDM4EMEN1MAPTKMT2A
SCHEMBL12448089 0.72 CPB2 (0.39) RPS6KB1CPB2POLB
SCHEMBL20713602 0.72 MEN1 (0.30) KDM4EMEN1MAPTKMT2A
SCHEMBL24128290 0.71 TBXAS1 (0.38) CPB2KDM4EMEN1KMT2A
SCHEMBL2390897 0.71 IRAK4 (0.33) IRAK4CPB2
SCHEMBL4908884 0.71 CPB2 (0.41) RPS6KB1CPB2POLB

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-1863770-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006121528-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-11-16 WO disclosed