SCHEMBL27745500

SCHEMBL27745500

O=[N+]([O-])c1cnc(Nc2ccccc2O)nc1NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.57
▸ GSK3B P49841 5/20 0.54
▸ GSK3A P49840 4/20 0.54
▸ IGF1R P08069 1/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ATM Q13315 2/20 0.50
▸ BLM P54132 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ AURKA O14965 2/20 0.45
▸ SYK P43405 2/20 0.44
▸ AXL P30530 3/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ MAPK3 P27361 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL15795562 0.80 AXL (0.46) GSK3BGSK3AIGF1RMEN1KMT2A
SCHEMBL5514466 0.79 GSK3B (0.55) GSK3BGSK3AMEN1KMT2AATM
SCHEMBL385263 0.77 GSK3A (0.70) ULK1GSK3BGSK3ACDK2AXL
SCHEMBL385264 0.77 GSK3A (0.70) ULK1GSK3BGSK3ACDK2AXL
SCHEMBL17544767 0.76 GSK3B (0.64) ULK1GSK3BGSK3AMEN1KMT2A
SCHEMBL25250460 0.76 GSK3B (0.67) GSK3BGSK3AMEN1KMT2AATM
SCHEMBL31116668 0.75 GSK3B (0.43) ULK1GSK3BGSK3AIGF1RMEN1
SCHEMBL14060018 0.74 GSK3B (0.57) GSK3BGSK3AIGF1RCDK5CDK2
SCHEMBL14059898 0.74 GSK3B (0.57) GSK3BGSK3AIGF1RCDK5CDK2
SCHEMBL5921620 0.74 PTK2 (0.50) GSK3BGSK3AIGF1RCDK5CDK2

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
CN-101478972-A Haloaryl substituted aminopurines, compositions thereof, and methods of using same in therapy SIGNAL PHARM LLC (US) 2009-07-08 — — CN disclosed
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