SCHEMBL4462970

SCHEMBL4462970

NC1=NC(N)(c2ccc(CCN3CCCC3)cc2)NC=C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
L3MBTL3 Q96JM7 4/20 0.44
MBTD1 Q05BQ5 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
TP53BP1 Q12888 1/20 0.36

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
SCHEMBL4459484 0.73 SLC6A3 (0.44) HRH3L3MBTL1L3MBTL3MBTD1TDP1
SCHEMBL1172171 0.73 LTA4H (0.47) L3MBTL1
SCHEMBL4459061 0.72 HRH3 (0.46) HRH3L3MBTL1L3MBTL3MBTD1TDP1
SCHEMBL2941736 0.72 GAA (0.41)
SCHEMBL1171665 0.72 CA12 (0.48) HRH3CYP1A2CYP3A4SIGMAR1
SCHEMBL4468291 0.71 HRH3 (0.52) HRH3CYP1A2SIGMAR1
SCHEMBL4808962 0.71 ALOX15 (0.32) HRH3L3MBTL1TDP1
SCHEMBL3919210 0.70 ALOX15 (0.34) HRH3L3MBTL1CYP1A2CYP3A4SIGMAR1
SCHEMBL4459491 0.69 HRH3 (0.44) HRH3L3MBTL1L3MBTL3MBTD1TDP1
SCHEMBL1877934 0.69 HRH3 (0.68) HRH3L3MBTL1L3MBTL3MBTD1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed