SCHEMBL7513301

SCHEMBL7513301

CC(C)(C)OC(=O)NC1C2CN(c3c(F)cc(C(=O)N(N)C(=O)OC(C)(C)C)c(NC4CC4)c3Cl)CC21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.34
KDM4D Q6B0I6 5/20 0.33
DRD2 P14416 4/20 0.33
KAT8 Q9H7Z6 2/20 0.33
DRD3 P35462 2/20 0.33
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
PARP1 P09874 1/20 0.31
KAT7 O95251 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
SCHEMBL7554372 0.89 KDM4D (0.38) BTKKDM4DDRD2DRD3PARP1
SCHEMBL7516546 0.86 BTK (0.39) BTKKDM4D
SCHEMBL7559538 0.86 MELK (0.33) BTKDRD2KAT7
SCHEMBL4515547 0.85 KAT8 (0.38) BTKKDM4DDRD2KAT8DRD3
SCHEMBL7512228 0.83 KDM4D (0.33) BTKKDM4DDRD2DRD3PARP1
SCHEMBL7581762 0.82 AAK1 (0.36) BTKKDM4DKAT8KAT6A
SCHEMBL7514863 0.82 IRAK1 (0.37) DRD2KAT7
SCHEMBL4512030 0.81 POLB (0.38) KAT7
SCHEMBL7508482 0.80 BTK (0.38) BTKKDM4D
SCHEMBL4713638 0.80 BTK (0.39) BTKKDM4DPARP1

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-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed