SCHEMBL3820985

SCHEMBL3820985

CNc1nc(SC)ncc1CO.[AlH3].[LiH]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 2/20 0.34
THRB P10828 1/20 0.33
FOS P01100 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1521589 0.97 HTT (0.51) HTTLMNAKDM4EALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL3820982 0.92 HTT (0.48) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6207973 0.84 HTT (0.41) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16134092 0.81 LMNA (0.40) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1521623 0.81 HTT (0.55) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30346051 0.80 LMNA (0.39) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3965244 0.80 LMNA (0.39) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1521534 0.80 LMNA (0.39) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL29541506 0.80 LMNA (0.39) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1521541 0.79 HTT (0.48) HTTLMNAKDM4EALDH1A1SMN1; SMN2

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-2094698-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D]PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed