SCHEMBL30956463

SCHEMBL30956463

COC(=O)c1cccc(-c2nc(Cl)ncc2C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EGFR P00533 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
VDR P11473 1/20 0.38
PDK1 Q15118 1/20 0.37
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PTPRC P08575 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30956614 0.88 SLC6A3 (0.50) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL30956550 0.86 SLC6A4 (0.40) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL30956555 0.79 L3MBTL1 (0.45) ALDH1A1PDK1KDM4EHPGDHTT
SCHEMBL2857251 0.77 NEK2 (0.45) SMN1; SMN2KMT2APDK1NPC1RAB9A
SCHEMBL30956413 0.76 SLC6A3 (0.51) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL22089709 0.76 PDK1 (0.47) ALDH1A1KMT2APDK1KDM4ENPC1
SCHEMBL30956571 0.75 SLC6A4 (0.41) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL30956592 0.75 MRGPRX4 (0.41) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL22090197 0.74 PDK1 (0.43) ALDH1A1SMN1; SMN2PDK1KDM4EHPGD
SCHEMBL30956397 0.74 SLC6A3 (0.49) SLC6A4SLC6A3ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed