SCHEMBL5203901

SCHEMBL5203901

CC(=O)N[C@]1(c2ccc(N)cc2)CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.39
POLB P06746 3/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
DHFR P00374 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CYP19A1 P11511 2/20 0.33

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
SCHEMBL5206840 1.00 BAZ2A (0.39) BAZ2APOLBSLC6A2SLC6A4SLC6A3
SCHEMBL21162019 0.84 POLB (0.47) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL5201481 0.79 NPSR1 (0.40) ALDH1A1CYP2C19SMN1; SMN2GAAMAPK1
SCHEMBL5168128 0.78 POLB (0.43) BAZ2APOLBALDH1A1KDM4EHPGD
SCHEMBL2231946 0.76 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL6500497 0.76 DRD2 (0.50) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2479293 0.75 POLB (0.56) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5171724 0.75 ALDH1A1 (0.54) POLBSLC6A4ALDH1A1CYP2C19SMN1; SMN2
Formic Acid SCHEMBL3897717 0.74 POLB (0.39) BAZ2APOLBALDH1A1KDM4EHPGD
Formic Acid SCHEMBL27679268 0.72 POLB (0.39) BAZ2APOLBALDH1A1KDM4EHPGD

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed