SCHEMBL6580282

SCHEMBL6580282

COC(=O)N1CCC(N2CCC(Nc3ncccc3N)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
JAK3 P52333 4/20 0.52
IRAK4 Q9NWZ3 8/20 0.48
NOS2 P35228 4/20 0.47
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
IRAK1 P51617 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
NOS1 P29475 3/20 0.41

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
SCHEMBL6580349 0.83 JAK2 (0.49) JAK2JAK3IRAK4NOS2CCNC
SCHEMBL13319035 0.83 NOS2 (0.67) NOS2NOS1NOS3
SCHEMBL30594359 0.82 ALDH1A1 (0.54) JAK2JAK3NOS2
SCHEMBL2248990 0.82 ALDH1A1 (0.54) JAK2JAK3NOS2
SCHEMBL17363113 0.82 CHRM4 (0.58) CHRM2CHRM4ACACBACACA
SCHEMBL28876540 0.76 BTK (0.55) JAK2JAK3
SCHEMBL31170988 0.76 BTK (0.55) JAK2JAK3
SCHEMBL29124440 0.76 BTK (0.55) JAK2JAK3
SCHEMBL28876539 0.76 BTK (0.55) JAK2JAK3
SCHEMBL30085275 0.76 BTK (0.55) JAK2JAK3

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-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 EP disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed