SCHEMBL27716183

SCHEMBL27716183

Cc1n[nH]c(C)c1CCN(C(N)=O)c1cccc(C#Cc2c(N)ncnc2N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TTR P02766 2/20 0.32
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CA P42336 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
SCHEMBL27696203 0.77 FFAR1 (0.36) GAA
SCHEMBL3575790 0.76 KDR (0.44) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27696205 0.75 KDM4E (0.34) GAALMNASMN1; SMN2MAPTMEN1
SCHEMBL27716085 0.74 ADK (0.31) PTGDR2PIK3CAMTOR
SCHEMBL27696271 0.74 ALOX5 (0.41) LMNAALDH1A1PIK3CAMTOR
SCHEMBL27696229 0.74 MTOR (0.33) HSD17B10ALDH1A1CYP1A2PTGDR2PIK3CA
SCHEMBL27716128 0.72 BCHE (0.34) ALDH1A1HPGDPTGDR2PIK3CAMTOR
SCHEMBL27696224 0.71 PTGES (0.44) HPGDPTGDR2
SCHEMBL27696377 0.71 PTGES (0.39) GAA
SCHEMBL4721937 0.70 ADK (0.37) PTGDR2PIK3CA

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-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN disclosed