SCHEMBL3469183

SCHEMBL3469183

COC(=O)c1cc(-c2c[nH]nc2C2CCN(C(=O)OC(C)(C)C)CC2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GPR119 Q8TDV5 1/20 0.42
HPGDS O60760 2/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL2497147 0.87 BMPR1B (0.40)
SCHEMBL3469425 0.85 HTT (0.43) HTTMEN1KMT2AGPR119HPGDS
SCHEMBL3469223 0.83 BMPR1B (0.40)
SCHEMBL3469349 0.77 BMPR1B (0.39)
SCHEMBL2385504 0.76 MET (0.53) GPR119DDB1CRBN
Hydrochloric Acid SCHEMBL3469292 0.76 BMPR1B (0.38)
SCHEMBL3469290 0.76 BMPR1B (0.38)
SCHEMBL28250420 0.72 KDM4E (0.53) HTTMEN1KMT2AGPR119HPGDS
SCHEMBL29521735 0.72 CYP11B2 (0.54)
SCHEMBL2421853 0.72 POLB (0.55) GPR119JAK2JAK1TYK2JAK3

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-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