SCHEMBL5549024

SCHEMBL5549024

CN1CCCCC1CNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.41
LMNA P02545 1/20 0.34
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
POLR1A O95602 1/20 0.31
EDNRA P25101 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
SCHEMBL5548632 0.87 KDM1A (0.40) KAT2BPDE3BPDE3APOLR1A
SCHEMBL5545569 0.85 DRD2 (0.41) LMNA
SCHEMBL5543674 0.84 PRMT5 (0.42)
SCHEMBL5549262 0.82 PRKCQ (0.34) KAT2BEDNRA
SCHEMBL5550007 0.80 KAT2B (0.39) KAT2B
SCHEMBL5548887 0.79 KAT2B (0.40) KAT2B
SCHEMBL5550145 0.79 SLC2A1 (0.42) LMNA
SCHEMBL5549838 0.78 PGK1 (0.40) KAT2B
SCHEMBL5549427 0.76 JAK2 (0.31)
SCHEMBL5545643 0.76 GSK3B (0.34)

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