SCHEMBL594201

SCHEMBL594201

Nc1nccc(-c2c[nH]nn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 5/20 0.47
HSP90AA1 P07900 3/20 0.47
AURKA O14965 1/20 0.47
ADORA2A P29274 1/20 0.47
CDK5 Q00535 10/20 0.46
CDK5R1 Q15078 10/20 0.46
GSK3B P49841 8/20 0.44
CLK1 P49759 3/20 0.44
DYRK1A Q13627 3/20 0.44
MAP3K14 Q99558 1/20 0.44
CDK2 P24941 6/20 0.44
CDK4 P11802 2/20 0.44
CCNE1 P24864 2/20 0.44
CCNB2 O95067 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
PRKACG P22612 4/20 0.43
PRKACB P22694 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
CSNK1A1 P48729 3/20 0.43

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
SCHEMBL15863878 0.78 CDK2 (0.42) DYRK1ACDK2CDK4CCNE1KDM4E
SCHEMBL10553903 0.78
SCHEMBL20801651 0.75 PDPK1 (0.43) PRKACACDK5CDK5R1GSK3BDYRK1A
SCHEMBL16568793 0.74
SCHEMBL87533 0.72
SCHEMBL16784615 0.72 HSP90AA1 (0.48) PRKACAHSP90AA1AURKAADORA2ACDK5
SCHEMBL23071629 0.71 HSP90AA1 (0.63) PRKACAHSP90AA1AURKAADORA2ACDK5
SCHEMBL17907394 0.71 KDM4E (0.39) HSP90AA1KDM4EALDH1A1
SCHEMBL6281270 0.70 FGFR2 (0.31)
SCHEMBL28680535 0.69 CAMK2D (0.55) AURKAGSK3BDYRK1ACDK2CDK4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A3 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS LILLY CO ELI (US) 2009-02-05 WO disclosed
WO-2008144222-A3 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS LILLY CO ELI (US) 2009-01-15 WO disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed