SCHEMBL5543751

SCHEMBL5543751

CC(C)(C)c1cn2c(=O)[nH]nc2c(NCC(C)(C)N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM5A P29375 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5549410 0.83 TLR9 (0.43) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5545643 0.82 GSK3B (0.34)
SCHEMBL3526664 0.82 GAA (0.45) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL5549385 0.79 MAPT (0.42) LMNAL3MBTL1POLB
SCHEMBL5548609 0.78 MAPK1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL3522887 0.76 SYK (0.34)
SCHEMBL3521775 0.75 GSK3B (0.36)
SCHEMBL5545590 0.75 GSK3B (0.35)
SCHEMBL3529268 0.75 ADORA1 (0.37) ALDH1A1KDM4E
SCHEMBL5550007 0.75 KAT2B (0.39) HTTSMN1; SMN2MEN1KMT2ACYP3A4

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
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed