SCHEMBL27495000

SCHEMBL27495000

[CH2]c1cnc(SC)nc1NC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LRRK2 Q5S007 2/20 0.33
NTRK1 P04629 1/20 0.33
JAK2 O60674 1/20 0.33
MERTK Q12866 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 3/20 0.31
AHR P35869 1/20 0.31
FOS P01100 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 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
SCHEMBL5416240 0.78 LMNA (0.43) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL15785397 0.78 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5402443 0.77 LRRK2 (0.50) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5407989 0.77 LMNA (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL12876461 0.77 KDM4E (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL28300418 0.77 KDM4E (0.42) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL16134092 0.74 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL14609722 0.74 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL1521592 0.74 LMNA (0.40) LMNAKDM4EHTTMEN1KMT2A
SCHEMBL5411406 0.74 KDM4E (0.56) LMNAKDM4EHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100386328-C Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2008-05-07 CN disclosed
CN-100358892-C 7-oxopyridopyrimidines HOFFMANN LA ROCHE (CH) 2008-01-02 CN disclosed
CN-1303072-C 7-oxo pyridopyrimidines HOFFMANN LA ROCHE (CH) 2007-03-07 CN disclosed
CN-1275964-C 7-oxo pyridopyrimidines as inhibitors of a cellular proliferation HOFFMANN LA ROCHE (CH) 2006-09-20 CN disclosed
CN-1721412-A 7-oxo pyridopyrimidines HOFFMANN LA ROCHE (CH) 2006-01-18 CN disclosed
CN-1639168-A Bicyclic pyridine and pyrimidine P38 kinase inhibitors HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed
CN-1171889-C Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase - 2004-10-20 CN disclosed
CN-1451005-A 7-oxopyridopyrimidines as inhibitors of cell proliferation HOFFMANN LA ROCHE (CH) 2003-10-22 CN disclosed
CN-1451004-A 7-oxopyridopyrimidines HOFFMANN LA ROCHE (CH) 2003-10-22 CN disclosed
CN-1382144-A Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase HOFFMANN LA ROCHE (CH) 2002-11-27 CN disclosed