SCHEMBL4553110

SCHEMBL4553110

CC1CNCCN1C.Cc1cnn(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.35
SYK P43405 2/20 0.35
PRKACA P17612 4/20 0.31
PRKD3 O94806 3/20 0.31
PRKACG P22612 3/20 0.31
PRKACB P22694 3/20 0.31
PRKCZ Q05513 3/20 0.31
PRKCD Q05655 3/20 0.31
GSK3B P49841 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKD1 Q15139 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 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
SCHEMBL26927 0.77
SCHEMBL1189011 0.77
SCHEMBL2164248 0.77
SCHEMBL1188310 0.77
Hydrochloric Acid SCHEMBL3741715 0.75
Hydrochloric Acid SCHEMBL18980837 0.75
Ammonia Solution, Strong SCHEMBL28524740 0.75
Hydrochloric Acid SCHEMBL1189256 0.75 HTR6 (0.31) PRKACAPRKD3PRKACGPRKACBPRKCZ
Hydrochloric Acid SCHEMBL22576798 0.75
Bromide SCHEMBL1470675 0.75 HTR6 (0.31) GSK3B

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-2009138411-A1 POLYOL FORMED FROM AN EPOXIDIZED OIL BASF SE (DE) 2009-11-19 WO disclosed