SCHEMBL23632804

SCHEMBL23632804

Brc1ccc2nn(CCN3CCOCC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
CLK1 P49759 1/20 0.45
FLT3 P36888 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.40
CNR1 P21554 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
SCHEMBL2328458 0.89 MCHR1 (0.49) HDAC3HDAC1HDAC2MAPK1ALDH1A1
SCHEMBL23638281 0.83 HDAC3 (0.47) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL521030 0.83 HDAC3 (0.52) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL29041989 0.83 MCHR1 (0.39) HDAC3HDAC1HDAC2MAPK1ALOX15
SCHEMBL29985547 0.80 LMNA (0.49) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL15681625 0.79 HDAC3 (0.61) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL23632999 0.79 KDM4E (0.42) ALDH1A1HTTTSHRLMNAKMT2A
SCHEMBL23638498 0.79 KDM4E (0.42) ALDH1A1HTTTSHRLMNAKMT2A
SCHEMBL521032 0.78 LMNA (0.48) HDAC3HDAC1HDAC2ALDH1A1MAPT
SCHEMBL146444 0.76 HDAC8 (0.38) ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed
WO-2022206730-A1 PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-06 WO disclosed
CN-115141202-A Pyrimidopyrazinone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-04 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed