SCHEMBL29425166

SCHEMBL29425166

COC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRBN Q96SW2 5/20 0.38
RAB9A P51151 2/20 0.38
ATR Q13535 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
DDB1 Q16531 2/20 0.36
SSTR3 P32745 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.35
GAA P10253 1/20 0.35
KIT P10721 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL9900980 1.00 MAPK1 (0.48) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL2713417 0.91 GPR119 (0.43) MAPK1KDM4EL3MBTL1ATRSSTR3
SCHEMBL2391034 0.89 AKT1 (0.36) MAPK1CRBNAKT1KITMAPT
SCHEMBL2712872 0.89 HCAR3 (0.42) MAPK1KDM4EL3MBTL1MAPT
SCHEMBL27077996 0.86 MAPK1 (0.38) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL2732023 0.85 KIT (0.36) L3MBTL1AKT1KITMAPT
SCHEMBL12802803 0.84 KIT (0.35) AKT1KIT
SCHEMBL22615478 0.83 MAPK1 (0.41) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL29730109 0.83 MAPK1 (0.43) MAPK1KDM4EL3MBTL1CRBNRAB9A
SCHEMBL27202134 0.83 MAPK1 (0.43) MAPK1KDM4EL3MBTL1CRBNRAB9A

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-3962912-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
EP-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed