SCHEMBL5549030

SCHEMBL5549030

CCOc1ccccc1CNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TSHR P16473 1/20 0.39
JAK3 P52333 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
PLEC Q15149 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC2A1 P11166 1/20 0.37
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5549023 0.83 ADORA1 (0.38) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL5549009 0.78 GSK3A (0.43) LMNAMEN1KMT2AALDH1A1TP53
SCHEMBL5548616 0.77 CA12 (0.40) LMNAALDH1A1TSHRGAAADORA1
SCHEMBL3528837 0.77 GSK3B (0.47) ADORA1
SCHEMBL5548893 0.77 GSK3A (0.49) LMNAKMT2ATSHRATMADORA1
SCHEMBL5550039 0.76 GSK3A (0.46) LMNAMEN1KMT2ATP53MAPT
SCHEMBL5549416 0.76 PDE5A (0.40) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL5549007 0.76 KMT2A (0.51) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL5543068 0.76 SMN1; SMN2 (0.41) LMNAMEN1KMT2AALDH1A1TP53
SCHEMBL5545002 0.76 GSK3A (0.51) ADORA1CDK9

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