SCHEMBL30956592

SCHEMBL30956592

COC(=O)c1cccc(-c2nc(Cl)ncc2Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
BTK Q06187 1/20 0.40
RPS6KA5 O75582 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPRC P08575 1/20 0.36
SLC6A2 P23975 1/20 0.36
NR4A2 P43354 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

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
SCHEMBL30956571 0.90 SLC6A4 (0.41) MRGPRX4SLC6A4SLC6A3KMT2AMEN1
SCHEMBL30956550 0.89 SLC6A4 (0.40) MRGPRX4SLC6A4SLC6A3KMT2AMEN1
SCHEMBL30956413 0.87 SLC6A3 (0.51) SLC6A4SLC6A3BTKRPS6KA5KMT2A
SCHEMBL30956397 0.80 SLC6A3 (0.49) SLC6A4SLC6A3KMT2AMEN1MAPT
SCHEMBL19923176 0.79 SLC6A3 (0.59) SLC6A4SLC6A3KMT2AMEN1MAPT
SCHEMBL30956563 0.79 KMO (0.48) MRGPRX4SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL30956403 0.77 RPS6KA5 (0.49) BTKRPS6KA5ALDH1A1HTTNPSR1
SCHEMBL30956614 0.75 SLC6A3 (0.50) SLC6A4SLC6A3KMT2AMEN1ALDH1A1
SCHEMBL24853402 0.75 BTK (0.45) BTKMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30956463 0.75 SLC6A4 (0.41) SLC6A4SLC6A3KMT2AMEN1MAPT

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