SCHEMBL8345368

SCHEMBL8345368

Cc1ncnc2c1cnn2-c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.63
MAPT P10636 12/20 0.62
LMNA P02545 10/20 0.60
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL6224500 0.86 MAPT (0.65) TP53MAPTLMNATDP1KDM4E
SCHEMBL13082426 0.83 NPC1 (0.56) TP53MAPTLMNAKDM4EHTT
SCHEMBL3879802 0.83 KDM4E (0.71) TP53MAPTLMNATDP1KDM4E
SCHEMBL6205850 0.83 TP53 (0.62) TP53MAPTLMNATDP1KDM4E
SCHEMBL24393325 0.82 ALDH1A1 (0.67) TP53MAPTLMNATDP1KDM4E
SCHEMBL6204905 0.80 MAPT (0.71) TP53MAPTLMNAKDM4EHTT
SCHEMBL840324 0.78 NPC1 (0.71) TP53MAPTLMNAKDM4EHTT
SCHEMBL6267038 0.75 MAPT (0.87) TP53MAPTLMNAKDM4EHTT
SCHEMBL24533690 0.73 NPC1 (0.61) TP53MAPTLMNATDP1KDM4E
SCHEMBL839950 0.73 SLC2A1 (0.60) MAPTLMNAKDM4EHTTNPSR1

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
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed