SCHEMBL3939293

SCHEMBL3939293

C[C@@H]1CCc2ncnc(N3CCNC[C@@H]3C)c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.36
HTR2C P28335 14/20 0.36
HTR2B P41595 14/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
GSK3B P49841 2/20 0.35
JAK3 P52333 2/20 0.34

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
Hydrochloric Acid SCHEMBL2262415 0.99 HTR2A (0.36) HTR2AHTR2CHTR2BAKT1AKT2
Hydrochloric Acid SCHEMBL2262423 0.99 HTR2A (0.36) HTR2AHTR2CHTR2BAKT1AKT2
SCHEMBL22533475 0.81 AKT1 (0.44) HTR2CAKT1AKT2AKT3
SCHEMBL3944642 0.81 AKT1 (0.44) HTR2CAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2262653 0.80 AKT1 (0.44) HTR2CAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL2262657 0.80 AKT1 (0.44) HTR2CAKT1AKT2AKT3
SCHEMBL2577724 0.78 AKT1 (0.38) HTR2AHTR2CHTR2BAKT1GSK3B
SCHEMBL2577720 0.78 AKT1 (0.38) HTR2AHTR2CHTR2BAKT1GSK3B
Hydrochloric Acid SCHEMBL2577999 0.77 AKT1 (0.38) HTR2AHTR2CHTR2BAKT1GSK3B
Hydrochloric Acid SCHEMBL1298981 0.77 AKT1 (0.38) HTR2AHTR2CHTR2BAKT1GSK3B

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-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed