SCHEMBL4009344

SCHEMBL4009344

COC(=O)Oc1c(CC(C)C)nc(-c2ccc(Cl)cc2)nc1NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ACP1 P24666 1/20 0.39
NAMPT P43490 1/20 0.37
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL4007716 0.84 ADORA3 (0.39) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL8040303 0.83 NPSR1 (0.42) NPSR1KDM4EHPGDTSHRACP1
SCHEMBL4010086 0.81 ATM (0.46) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL8047253 0.81 ACP1 (0.43) NPSR1KDM4EHPGDTSHRACP1
SCHEMBL4015692 0.80 DHPS (0.40) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL8041741 0.75 NPSR1 (0.42) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL4007862 0.74 NAMPT (0.38) KDM4ENAMPTMEN1KMT2AADORA3
SCHEMBL8040669 0.73 NPSR1 (0.42) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL4007725 0.73 ADORA3 (0.39) NPSR1KDM4EHPGDTSHRNAMPT
SCHEMBL8038367 0.72 SMN1; SMN2 (0.40) NPSR1KDM4EHPGDTSHRNAMPT

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed