Sugi Predict

Sugi Predict / Compounds / SCHEMBL5238050

SCHEMBL5238050

SCHEMBL5238050

CC(C)(C)OC(=O)N1CCN(CCOc2ccc3sc(-c4nc(NCCN5C(=O)NC(=O)C5(C)C)ncc4Br)cc3c2)CC1.CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OCCN4CCNCC4)ccc3s2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.37
▸ GPR4 P46093 1/20 0.35
▸ EPHX2 P34913 7/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ MAOB P27338 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32

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
SCHEMBL2987312 0.97 ACKR3 (0.39) ACKR3GPR4EPHX2GPR119PDE3B
SCHEMBL2983812 0.92 PDE3B (0.36) PDE3BPDE3ADRD2DRD3
SCHEMBL2980444 0.89 DRD3 (0.37) PDE3BPDE3ADRD2DRD3
SCHEMBL2983864 0.87 PDE3B (0.36) PDE3BPDE3ADRD2DRD3
SCHEMBL2980471 0.86 PDE3B (0.40) PDE3BPDE3ADRD2DRD3MAOB
SCHEMBL2973307 0.86 PDE3B (0.41) PDE3BPDE3ADRD2DRD3MAOB
SCHEMBL2980391 0.86 PDE3B (0.42) PDE3BPDE3AMAOB
SCHEMBL2975965 0.85 CACNA2D1 (0.38) PDE3BPDE3A
SCHEMBL2983292 0.82 GPR119 (0.38) GPR119
SCHEMBL2975929 0.82 PDE3B (0.34) PDE3BPDE3A

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-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 — — EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 — — WO disclosed