SCHEMBL26627431

SCHEMBL26627431

NC(=O)c1csc(-c2ccccc2F)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.71
ACHE P22303 3/20 0.64
CYP2C9 P11712 1/20 0.53
SCN9A Q15858 1/20 0.53
CYP2C19 P33261 1/20 0.49
MPL P40238 1/20 0.47
GRM2 Q14416 1/20 0.47
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL28866158 0.89 HTR2B (0.61) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL2554961 0.85 PIM1 (0.62) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL2693403 0.85 ACHE (0.63) HTR2BACHEHDAC1HDAC8HDAC6
Pulicatins F SCHEMBL12469099 0.83 HTR2B (1.00) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL28183740 0.83 HTR2B (0.54) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL28216860 0.82 HTR2B (0.69) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL31351218 0.81 HTR2B (0.60) HTR2BACHECYP2C9SCN9ACYP2C19
Ammonia Solution, Strong SCHEMBL27976670 0.81 HTR2B (0.68) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL14463683 0.80 HTR2B (0.66) HTR2BACHECYP2C9SCN9ACYP2C19
SCHEMBL27976668 0.80 HTR2B (0.66) HTR2BACHECYP2C9SCN9ACYP2C19

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-104640858-B Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use 霍夫曼-拉罗奇有限公司 2018-11-06 CN claimed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 CN claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
WO-2024082724-A1 PIM KINASE INHIBITOR IN COMBINATION WITH KRAS INHIBITOR NINGBO NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-04-25 WO disclosed
WO-2023202563-A1 AKT INHIBITOR IN COMBINATION WITH PIM KINASE INHIBITOR NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-10-26 WO disclosed
CN-102625807-A 4-substituted pyridin-3-yl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2012-08-01 CN disclosed