SCHEMBL5800638

SCHEMBL5800638

CN1CCC(n2ccc(I)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ALOX15 P16050 1/20 0.36
TLR8 Q9NR97 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRAF P15056 2/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPK6 Q16659 1/20 0.31

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
SCHEMBL5801362 0.87 HTR3E (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15825704 0.85
SCHEMBL21847657 0.82 GAA (0.47) GAASMN1; SMN2ALOX15TLR8SIGMAR1
SCHEMBL26101147 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL27568268 0.81 SIGMAR1 (0.39) SIGMAR1
SCHEMBL6221771 0.80 HTR2B (0.37) SIGMAR1HTR2AHTR2CL3MBTL1CHRM2
SCHEMBL19610482 0.80 HTR2B (0.37) SIGMAR1HTR2AHTR2CL3MBTL1CHRM2
SCHEMBL17001832 0.80 GAA (0.41) GAASMN1; SMN2HTR3EHTR3BHTR3A
SCHEMBL27586543 0.79 SIGMAR1 (0.43) SIGMAR1
SCHEMBL28459957 0.77 CYP1A2 (0.33)

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-110036014-B Compound with AXL inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-09-07 CN disclosed
CN-101426792-A Pyrazolopyrimidines as therapeutic agents ABBOTT GMBH & CO KG (DE) 2009-05-06 CN disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed