SCHEMBL27615818

SCHEMBL27615818

Cn1cc(-c2cc3nccnc3[nH]2)c2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.65
▸ GSK3A P49840 13/20 0.65
▸ CDK7 P50613 5/20 0.65
▸ AURKB Q96GD4 5/20 0.65
▸ IGF1R P08069 5/20 0.65
▸ LCK P06239 4/20 0.65
▸ LRRK2 Q5S007 4/20 0.65
▸ JAK2 O60674 4/20 0.65
▸ BTK Q06187 1/20 0.65
▸ CDK5 Q00535 12/20 0.56
▸ CCNB2 O95067 11/20 0.56
▸ CDK1 P06493 11/20 0.56
▸ CCNB1 P14635 11/20 0.56
▸ CCNB3 Q8WWL7 11/20 0.56
▸ CDK5R1 Q15078 8/20 0.56
▸ AURKA O14965 4/20 0.48
▸ ABL1 P00519 4/20 0.48
▸ RET P07949 4/20 0.48
▸ FLT3 P36888 4/20 0.48
▸ PRKAA1 Q13131 4/20 0.48

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
SCHEMBL1778813 0.91 GSK3B (0.71) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL28757494 0.84 IGF1R (0.62) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL27634819 0.81 GSK3B (0.71) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL14304581 0.81 GSK3B (0.67) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777186 0.80 GSK3B (0.65) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777116 0.79 GSK3B (0.68) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1778596 0.79 GSK3B (1.00) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL3104144 0.78 GSK3B (0.69) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777132 0.78 GSK3B (0.63) GSK3BGSK3ACDK7AURKBIGF1R
SCHEMBL1777871 0.77 GSK3B (0.62) GSK3BGSK3ACDK7AURKBIGF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN claimed
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 — — CN disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN disclosed
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