SCHEMBL24722735

SCHEMBL24722735

Cc1cc(Br)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.37
HRH4 Q9H3N8 2/20 0.36
ADRA2C P18825 2/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL24722843 0.87 HRH4 (0.41) MAPTHTTPOLBKMT2AHRH4
SCHEMBL24723273 0.87 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL21590359 0.87 CCR4 (0.40) MAPTALDH1A1HTTACHEKMT2A
SCHEMBL29888872 0.86 MAPT (0.36) MAPTALDH1A1HTTSMN1; SMN2POLB
SCHEMBL24723224 0.84 GABRA1 (0.39) MAPTALDH1A1HTTSMN1; SMN2ACHE
SCHEMBL21590338 0.84 GAA (0.47) MAPTALDH1A1SMN1; SMN2ACHEKDM4E
SCHEMBL28506333 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL24723681 0.83 SIRT6 (0.39) MAPTALDH1A1HTTSMN1; SMN2POLB
SCHEMBL16077755 0.83 MAPT (0.37) MAPTALDH1A1HTTSMN1; SMN2POLB
SCHEMBL20180504 0.83 NPSR1 (0.53) MAPTALDH1A1HTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751104-A Compound with kinase inhibition function and preparation and application thereof 轶诺(浙江)药业有限公司 2024-03-22 CN disclosed
CN-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 CN disclosed
CN-117321052-A Alkyne compound as HPK1 inhibitor and application thereof 南京再明医药有限公司 2023-12-29 CN disclosed
CN-116848113-A Bicyclic compounds as HPK1 inhibitors and application thereof 南京再明医药有限公司 2023-10-03 CN disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 WO disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 WO disclosed
WO-2022253328-A1 COMPOUND HAVING KINASE INHIBITORY FUNCTION, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 轶诺(浙江)药业有限公司 2022-12-08 WO disclosed
CN-115433161-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-12-06 CN disclosed
WO-2022228522-A1 ALKYNE COMPOUND AS HPK1 INHIBITOR AND USE THEREOF 江苏先声药业有限公司 2022-11-03 WO disclosed
CN-115197132-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 CN disclosed
WO-2022171034-A1 BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-18 WO disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed