SCHEMBL9511066

SCHEMBL9511066

Cc1nc(S)cc(N)c1N

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.32
CD44 P16070 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 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
SCHEMBL9383607 0.75 NCF1 (0.43) TERTALDH1A1L3MBTL1NOS3NOS1
SCHEMBL9511107 0.75 NOS2 (0.42) TERTNOS3NOS1NOS2
SCHEMBL17085823 0.75
SCHEMBL280576 0.71 NOS3 (0.34) TERTALDH1A1L3MBTL1NOS3NOS1
SCHEMBL27385578 0.71 TDP1 (0.39) TERTCD44ALDH1A1L3MBTL1
SCHEMBL2905943 0.71
SCHEMBL14419253 0.68
SCHEMBL29839686 0.68 NNMT (0.39) ALDH1A1L3MBTL1
SCHEMBL95213 0.68 NNMT (0.39) ALDH1A1L3MBTL1
SCHEMBL30303130 0.67 HSP90AA1 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566698-A1 AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR THE ROCKEFELLER UNIVERSITY (US) 1993-10-27 EP disclosed
WO-1992011853-A1 AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR THE ROCKEFELLER UNIVERSITY (US) 1992-07-23 WO disclosed