SCHEMBL3498548

SCHEMBL3498548

CCCCc1ccc(Nc2nc(=O)c3[nH]cnc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 7/20 0.75
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
HPGD P15428 2/20 0.56
XBP1 P17861 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL3496871 0.82 POLA1 (1.00) POLA1
SCHEMBL3496869 0.79 POLA1 (0.70) POLA1MAPTHTTHPGDXBP1
SCHEMBL28004894 0.78 POLA1 (0.48) POLA1MAPTHTTLMNA
SCHEMBL28004909 0.78 MKNK1 (0.46) POLA1MAPTHTTXBP1SMN1; SMN2
SCHEMBL28004905 0.78 POLA1 (0.44) POLA1HTTLMNA
SCHEMBL7680705 0.75 PDE4A (0.49) POLA1
SCHEMBL28004982 0.72 XDH (0.53) POLA1HTT
SCHEMBL28004933 0.72 XDH (0.46) POLA1
SCHEMBL17478578 0.71 CCNB2 (0.44)
SCHEMBL8663355 0.70 GDA (0.46) HPGDSMN1; SMN2TP53

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
US-20100143332-A1 COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
EP-2086644-A2 COMBINATION OF AN INHIBITOR OF DNA POLYMERASE-ALPHA AND AN INHIBITOR OF A CHECKPOINT KINASE FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION (US) 2009-08-12 EP disclosed
WO-2008063558-A2 COMBINATION OF AN INHIBITOR OF DNA POLYMERASE-ALPHA AND AN INHIBITOR OF A CHECKPOINT KINASE FOR PROLIFERATIVE DISORDERS SCHERING CORPORATION (US) 2008-05-29 WO disclosed