SCHEMBL3469425

SCHEMBL3469425

COC(=O)c1nc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATR Q13535 2/20 0.39

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
SCHEMBL3950236 0.86 ATR (0.40) ATR
SCHEMBL3469183 0.85 HTT (0.45) HTTMEN1KMT2AJAK2JAK3
SCHEMBL3954321 0.81 TYRO3 (0.42) ATR
SCHEMBL3946720 0.80 HTT (0.44) HTTMEN1KMT2AGPR119DDB1
SCHEMBL3946717 0.78 IRAK4 (0.43) JAK2JAK3GPR119DDB1CRBN
SCHEMBL3952939 0.77 ATR (0.40) ATR
SCHEMBL29521876 0.75 KDM5C (0.43) HTTJAK3GPR119DDB1CRBN
SCHEMBL2387029 0.75 KDR (0.52) JAK2JAK3GPR119DDB1CRBN
SCHEMBL29521611 0.75 KDR (0.52) JAK2JAK3GPR119DDB1CRBN
SCHEMBL27090852 0.75 HTT (0.47) HTTMEN1KMT2AJAK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed