SCHEMBL5823183

SCHEMBL5823183

Ic1ccn(C2CCNC2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
PIM1 P11309 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
HTR2A P28223 2/20 0.31
KHK P50053 1/20 0.30
PAICS P22234 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL29063640 1.00 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL27604341 0.90 TLR8 (0.36) PIM1HTR2CHTR2BHTR2AHTR6
SCHEMBL27604342 0.90 TLR8 (0.36) PIM1HTR2CHTR2BHTR2AHTR6
SCHEMBL19471825 0.90 TLR8 (0.36) PIM1HTR2CHTR2BHTR2AHTR6
SCHEMBL5801953 0.89 MEN1 (0.39) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL15825704 0.79
SCHEMBL27568268 0.76 SIGMAR1 (0.39)
SCHEMBL26101147 0.76 SIGMAR1 (0.36)
SCHEMBL17239552 0.74 PLAUR (0.47) KMT2APIM1EGFRSRCHTR2C
SCHEMBL17239476 0.74 PLAUR (0.47) KMT2APIM1EGFRSRCHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514806-A Biological inhibitor containing acrylketone, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-08-01 CN disclosed
CN-108295073-A Multi-fluorinated compounds are as bruton's tyrosine kinase inhibitor 浙江导明医药科技有限公司 2018-07-20 CN disclosed
CN-106061976-B Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2018-05-15 CN disclosed
CN-106061976-A Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2016-10-26 CN disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed