SCHEMBL5148997

SCHEMBL5148997

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OCCC4CCCCN4)ccc3s2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 1/20 0.36
MERTK Q12866 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
CHEK2 O96017 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL5147304 0.98 MERTK (0.37) AURKBMERTKPDE3BPDE3A
SCHEMBL2973767 0.91 MERTK (0.35) MERTK
SCHEMBL2973757 0.91 MERTK (0.35) MERTK
SCHEMBL2973307 0.87 PDE3B (0.41) AURKBPDE3BPDE3A
SCHEMBL2980471 0.87 PDE3B (0.40) PDE3BPDE3A
SCHEMBL2987877 0.87 PDE3B (0.31) PDE3BPDE3A
SCHEMBL2980391 0.86 PDE3B (0.42) AURKBPDE3BPDE3A
SCHEMBL2983812 0.86 PDE3B (0.36) PDE3BPDE3A
SCHEMBL2983864 0.85 PDE3B (0.36) PDE3BPDE3A
SCHEMBL2974581 0.85

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 4 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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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