SCHEMBL2533237

SCHEMBL2533237

CNC(=O)c1ccc(-n2cnc3cnc(N4C=NC=CC4)nc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RPS6KA3 P51812 4/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL2410186 0.81 MAPT (0.42) RIPK1RIPK3MAPTMAPK14POLB
SCHEMBL2408774 0.81 HPGD (0.41) MAPTMAPK14POLBHPGDSCN9A
SCHEMBL2533233 0.78 RIPK1 (0.37) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2408339 0.77 RPS6KA3 (0.48) RPS6KA3PIK3CAMTORPOLBHPGD
SCHEMBL2408398 0.77 PTPN11 (0.41) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2409198 0.75 HDAC6 (0.52) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2410524 0.75 CFTR (0.47) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2408806 0.73 CYP1A2 (0.44) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2438823 0.68 RPS6KA3 (0.39) MKNK1MKNK2RIPK1RIPK3MAPT
SCHEMBL2408340 0.68 FGFR1 (0.44) RIPK1RIPK3MAPTRPS6KA3TP53

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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