SCHEMBL2533233

SCHEMBL2533233

CNC(=O)c1ccc(-n2cnc3cnc(N4C=CC=NC4)nc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.37
▸ RIPK3 Q9Y572 1/20 0.37
▸ RPS6KA3 P51812 5/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK2 P24941 3/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33

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
SCHEMBL2410186 0.81 MAPT (0.42) RIPK1RIPK3MAPTMAPK14HPGD
SCHEMBL2408774 0.81 HPGD (0.41) MAPTMAPK14HPGDSCN9A
SCHEMBL2533237 0.78 MKNK1 (0.36) RIPK1RIPK3RPS6KA3MKNK1MKNK2
SCHEMBL2408339 0.77 RPS6KA3 (0.48) RPS6KA3HPGDPIK3CAMTOR
SCHEMBL2408398 0.77 PTPN11 (0.41) RIPK1RIPK3RPS6KA3MKNK1MKNK2
SCHEMBL2409198 0.75 HDAC6 (0.52) RIPK1RIPK3RPS6KA3MKNK1MKNK2
SCHEMBL2410524 0.75 CFTR (0.47) RIPK1RIPK3RPS6KA3MKNK1MKNK2
SCHEMBL2408806 0.73 CYP1A2 (0.44) RIPK1RIPK3RPS6KA3MKNK1MKNK2
SCHEMBL2408340 0.68 FGFR1 (0.44) RIPK1RIPK3RPS6KA3MAPTTP53
SCHEMBL2438823 0.68 RPS6KA3 (0.39) RIPK1RIPK3RPS6KA3MKNK1MKNK2

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-2011106168-A1 PURINE COMPOUNDS FOR TREATING AUTOIMMUNE AND DEMYELINATING DISEASES DCAM PHARMA INC (US) 2011-09-01 — — WO claimed
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