SCHEMBL30956571

SCHEMBL30956571

COC(=O)c1cccc(-c2nc(Cl)ncc2F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATR Q13535 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPRC P08575 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
PTK2B Q14289 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PDK2 Q15119 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
SCHEMBL30956592 0.90 MRGPRX4 (0.41) SLC6A4SLC6A3MRGPRX4KMT2AMEN1
SCHEMBL30956397 0.90 SLC6A3 (0.49) SLC6A4SLC6A3KMT2AMEN1ATR
SCHEMBL30956550 0.89 SLC6A4 (0.40) SLC6A4SLC6A3MRGPRX4KMT2AMEN1
SCHEMBL19923176 0.79 SLC6A3 (0.59) SLC6A4SLC6A3KMT2AMEN1SMN1; SMN2
SCHEMBL30956563 0.79 KMO (0.48) SLC6A4SLC6A3MRGPRX4SMN1; SMN2ALDH1A1
SCHEMBL30956505 0.77 CDK2 (0.39)
SCHEMBL30956413 0.76 SLC6A3 (0.51) SLC6A4SLC6A3KMT2AMEN1ATR
SCHEMBL13824070 0.76 SLC6A3 (0.53) SLC6A4SLC6A3KMT2AMEN1SMN1; SMN2
SCHEMBL22097954 0.76 NPC1 (0.41) SMN1; SMN2MAPTKDM4EMAPK1NPC1
SCHEMBL30956614 0.75 SLC6A3 (0.50) SLC6A4SLC6A3KMT2AMEN1ATR

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