SCHEMBL7990574

SCHEMBL7990574

COc1ccccc1CCN(CCCCNC(=O)OC(C)(C)C)c1nc(-c2ccncc2)cc(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
DRD2 P14416 5/20 0.38
PDPK1 O15530 1/20 0.38
CCNB2 O95067 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 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
SCHEMBL7992651 0.90 LMNA (0.46) LMNAPTPN7DUSP3ROCK2ROCK1
SCHEMBL7978487 0.83 GSK3B (0.48) LMNAPTPN7DUSP3ROCK2ROCK1
SCHEMBL7993214 0.78 GSK3B (0.48) LMNAPTPN7DUSP3ROCK2ROCK1
SCHEMBL7990818 0.70 GSK3B (0.50) ROCK2ROCK1GSK3B
SCHEMBL8419482 0.69 MTNR1A (0.67) DRD2IDO1NQO2SMN1; SMN2
SCHEMBL7996126 0.68 GSK3B (0.63) GSK3B
SCHEMBL613087 0.66 DRD2 (0.50) DRD2NQO2
SCHEMBL7978702 0.66 GSK3B (0.59) GSK3B
SCHEMBL5379886 0.66 GSK3B (0.58) ROCK2ROCK1CDK1CDK2GSK3B
SCHEMBL5127689 0.64 NPC1 (0.48) ROCK2ROCK1

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
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed