SCHEMBL5548540

SCHEMBL5548540

CC(C)Nc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.32
BTK Q06187 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3522851 0.86 CXCR2 (0.35)
SCHEMBL5548896 0.85 GRK6 (0.34)
SCHEMBL5550127 0.84 CYP3A4 (0.37) PDE5AKDM4EMAPT
SCHEMBL5549359 0.84 LPAR2 (0.31)
SCHEMBL5548550 0.82 NTRK1 (0.39) PDE5A
SCHEMBL5548899 0.81 GSK3B (0.32) GSK3AGSK3B
SCHEMBL5548901 0.81 SLC6A4 (0.38) PDE5AKDM4ENPC1MAPTRAB9A
SCHEMBL3524484 0.81 PDE5A (0.33) PDE5ABTKGSK3AGSK3B
SCHEMBL3523063 0.81 PDE5A (0.47) PDE5ABTKGSK3AGSK3B
SCHEMBL5545643 0.80 GSK3B (0.34) PDE5AGSK3AGSK3B

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