SCHEMBL2410524

SCHEMBL2410524

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.47
▸ YTHDC1 Q96MU7 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ RIPK3 Q9Y572 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ RPS6KA3 P51812 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL2409198 0.85 HDAC6 (0.52) CFTRRIPK1RIPK3MAPTTP53
SCHEMBL2410246 0.83 CFTR (0.63) CFTRMAPTTP53DYRK1AMKNK1
SCHEMBL2408806 0.83 CYP1A2 (0.44) RIPK1RIPK3MAPTTP53DYRK1A
SCHEMBL2410186 0.80 MAPT (0.42) POLBRIPK1RIPK3MAPTHDAC6
SCHEMBL2408774 0.79 HPGD (0.41) POLBMAPTHDAC6
SCHEMBL17052498 0.78 HCAR1 (0.43) CFTRMAPTFGFR1RPS6KA3
SCHEMBL2405739 0.78 RPS6KA3 (0.53) CFTRFGFR1RPS6KA3
SCHEMBL2408339 0.78 RPS6KA3 (0.48) POLBRPS6KA3PIK3CAMTOR
SCHEMBL2408398 0.78 PTPN11 (0.41) RIPK1RIPK3MAPTTP53MKNK1
SCHEMBL2533237 0.75 MKNK1 (0.36) POLBRIPK1RIPK3MAPTTP53

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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