Sugi Predict

Sugi Predict / Compounds / SCHEMBL16986925

SCHEMBL16986925

SCHEMBL16986925

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(OC(=O)Nc6cccc(CO)c6)CC5)cc4)nc3n2n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.48
▸ AKT1 P31749 9/20 0.44
▸ AKT2 P31751 5/20 0.44
▸ CCR3 P51677 1/20 0.44
▸ CHRM3 P20309 2/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ ACKR3 P25106 1/20 0.38

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
SCHEMBL16986824 0.94 BCHE (0.52) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986833 0.93 BCHE (0.46) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986917 0.93 BCHE (0.46) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986853 0.93 BCHE (0.46) BCHEAKT1AKT2CCR3CHRM4
SCHEMBL16986904 0.93 CCR3 (0.51) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986872 0.91 AKT1 (0.45) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986855 0.91 BCHE (0.48) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986861 0.91 BCHE (0.44) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986858 0.91 BCHE (0.44) BCHEAKT1AKT2CCR3CHRM3
SCHEMBL16986826 0.91 CHRM4 (0.44) BCHEAKT1AKT2CCR3CHRM4

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 — — EP claimed