SCHEMBL5548632

SCHEMBL5548632

CN1CCCC1CCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
RAD52 P43351 2/20 0.36
ACKR3 P25106 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
UHRF1 Q96T88 1/20 0.35
CAMK2D Q13557 1/20 0.35
GFER P55789 1/20 0.35
MITF O75030 1/20 0.35
POLR1A O95602 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TERT O14746 1/20 0.34
KAT2B Q92831 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5549024 0.87 KAT2B (0.41) POLR1APDE3BPDE3AKAT2B
SCHEMBL5550007 0.81 KAT2B (0.39) RAD52NPC1RAB9AKAT2BMEN1
SCHEMBL5548887 0.81 KAT2B (0.40) RAD52NPC1RAB9AKAT2BMEN1
SCHEMBL5545569 0.80 DRD2 (0.41) ACKR3HRH3KMT2A
SCHEMBL5549262 0.79 PRKCQ (0.34) KAT2B
SCHEMBL5549838 0.79 PGK1 (0.40) HRH3KAT2B
SCHEMBL3525674 0.78 GSK3B (0.42)
SCHEMBL5549394 0.78 PGK1 (0.39) KAT2B
SCHEMBL3521775 0.78 GSK3B (0.36)
SCHEMBL5545590 0.78 GSK3B (0.35)

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