SCHEMBL2408398

SCHEMBL2408398

CNC(=O)c1ccc(-n2cnc3cnc(N4CCSCC4)nc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.41
▸ SCN9A Q15858 8/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ RIPK3 Q9Y572 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36

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 0.90 MAPT (0.42) PTPN11SCN9AMAPK14USP2ALDH1A1
SCHEMBL2408774 0.89 HPGD (0.41) SCN9AMAPK14USP2ALDH1A1CYP1A2
SCHEMBL2408339 0.88 RPS6KA3 (0.48) PIK3CAMTORPIK3CGUSP2ALDH1A1
SCHEMBL2410524 0.78 CFTR (0.47) PIK3CAMTORRIPK1RIPK3MAPT
SCHEMBL2409198 0.78 HDAC6 (0.52) PIK3CAMTORALDH1A1HSD17B10RIPK1
SCHEMBL2533233 0.77 RIPK1 (0.37) SCN9AMAPK14PIK3CAMTORRIPK1
SCHEMBL2533237 0.77 MKNK1 (0.36) SCN9AMAPK14PIK3CAMTORRIPK1
SCHEMBL2408806 0.76 CYP1A2 (0.44) USP2ALDH1A1CYP1A2HSD17B10CASP1
SCHEMBL2407291 0.76 CFTR (0.46) PTPN11USP2ALDH1A1CYP1A2HSD17B10
SCHEMBL2410911 0.75 CFTR (0.45) USP2ALDH1A1CYP1A2HSD17B10CASP1

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