SCHEMBL17166010

SCHEMBL17166010

COc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
PTK2B Q14289 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
PPARA Q07869 1/20 0.34
GRM5 P41594 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL17166009 0.83 GRN (0.35) MAPK14MAPK13MAPK12MAPK11HRH3
SCHEMBL17166226 0.82 UBE2T (0.41) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL9906367 0.81 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL12789816 0.76 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL9909704 0.74 PTK2B (0.41) MAPK14MAPK13MAPK12MAPK11PTK2B
SCHEMBL12789828 0.70 ALDH1A1 (0.41) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL9906366 0.69 GRN (0.58) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL9909705 0.69 GRN (0.38) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL9909706 0.68 CDK8 (0.50) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL10220768 0.68 CA12 (0.42) MEN1KMT2ACACNA1I

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
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed