SCHEMBL5265324

SCHEMBL5265324

Nc1nc2nc[nH]c2c(=O)n1C(Br)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 1/20 0.40
▸ PNP P00491 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL17186408 0.86 MGMT (0.40) MGMTPNPPDPK1GDAPIK3CG
Hydrochloric Acid SCHEMBL18605989 0.85 MGMT (0.40) MGMTPNPPDPK1GDAPIK3CG
SCHEMBL22090217 0.74 PNP (0.42) MGMTPNPPDPK1GDASMN1; SMN2
SCHEMBL1533592 0.73 SLC2A1 (0.41) MGMTPNPPDPK1GDAPIK3CD
SCHEMBL27310857 0.73 MGMT (0.41) MGMTPNPPIK3CGPIK3CAMTOR
SCHEMBL2385930 0.73 ADORA2B (0.50) PNPPDPK1GDADPP4ALDH1A1
SCHEMBL29174358 0.73 PNP (0.45) PNPPDPK1GDAPDE4APDE4B
SCHEMBL9806974 0.72 PNP (0.44) PNPPDPK1GDADPP4ALDH1A1
SCHEMBL4962859 0.71 PDE4A (0.53) MGMTPNPSMN1; SMN2PDE4APDE4B
SCHEMBL6952184 0.71 SLC2A1 (0.41) PNPPDPK1GDAPIK3CGPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838307-A1 METHODS OF USING TEMOZOLOMIDE FORMULATION INTRATHECALLY IN THE TREATMENT OF CANCERS SCHERING CORPORATION (US) 2007-10-03 — — EP disclosed
WO-2006060464-A1 METHODS OF USING TEMOZOLOMIDE FORMULATION INTRATHECALLY IN THE TREATMENT OF CANCERS SCHERING CORPORATION (US) 2006-06-08 — — WO disclosed
Send feedback