SCHEMBL7050477

SCHEMBL7050477

CN1CCCC(n2ccc(-c3ccc(Oc4ccccc4)cc3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.43
BTK Q06187 13/20 0.42
NUDT14 O95848 1/20 0.39
NUDT5 Q9UKK9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
EGFR P00533 2/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL27586539 0.84 MEN1 (0.52) SCN4ABTKHRH3ALDH1A1SMN1; SMN2
SCHEMBL28061472 0.83 BTK (0.49) SCN4ABTKNUDT14NUDT5HRH3
SCHEMBL28061471 0.83 BTK (0.49) SCN4ABTKNUDT14NUDT5HRH3
SCHEMBL27568293 0.83 BTK (0.45) SCN4ABTKNUDT14NUDT5HRH3
SCHEMBL23217070 0.81 BTK (0.52) SCN4ABTKNUDT14NUDT5HRH3
SCHEMBL6640044 0.81 BTK (0.46) SCN4ABTKNUDT14NUDT5HRH3
SCHEMBL28061492 0.78 SMN1; SMN2 (0.49) SCN4ABTKALDH1A1SMN1; SMN2
SCHEMBL28762061 0.78 BTK (0.42) SCN4ABTKHRH3MEN1KMT2A
SCHEMBL28762063 0.78 BTK (0.42) SCN4ABTKHRH3MEN1KMT2A
SCHEMBL18173591 0.78 BTK (0.44) SCN4ABTKALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426792-A Pyrazolopyrimidines as therapeutic agents ABBOTT GMBH & CO KG (DE) 2009-05-06 CN disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN disclosed