SCHEMBL4735201

SCHEMBL4735201

CN(C(=O)O)C1CN(c2nc(N)nc3[nH]ccc23)CCO1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
JAK1 P23458 5/20 0.44
JAK3 P52333 8/20 0.42
JAK2 O60674 9/20 0.41
PIK3CA P42336 2/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 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
SCHEMBL4737164 0.86 JAK1 (0.59) JAK1JAK3JAK2
SCHEMBL4736443 0.82 PIK3CB (0.42) JAK1JAK3JAK2PIK3CAPIK3R1
SCHEMBL4735212 0.80 HRH4 (0.48) HRH4JAK1JAK3JAK2PIK3CA
SCHEMBL4738959 0.76 HRH4 (0.55) HRH4JAK3PIK3CAPIK3R1
SCHEMBL14162743 0.73 HRH4 (0.43) HRH4JAK1JAK3JAK2PIK3CA
SCHEMBL30834201 0.71 HRH4 (0.50) HRH4JAK1JAK3JAK2PIK3CA
SCHEMBL4736588 0.69 AKT2 (0.39) JAK1JAK3JAK2
SCHEMBL14320465 0.69 HRH4 (0.78) HRH4JAK3PIK3CAPIK3R1
SCHEMBL14320582 0.68 HRH4 (0.76) HRH4JAK3JAK2PIK3CAPIK3R1
SCHEMBL4737158 0.65 JAK3 (0.54) JAK1JAK3JAK2

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-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed