SCHEMBL10239182

SCHEMBL10239182

Cc1nc2n(c1C)CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGD P15428 5/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.39

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
SCHEMBL19006734 1.00 POLB (0.52) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL13360488 0.98 POLB (0.48) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL14278538 0.91 ATM (0.46) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL947830 0.78 POLB (0.46) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL13360504 0.76 POLB (0.44) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL11193250 0.76 SMN1; SMN2 (0.51) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL23890951 0.75 POLB (0.43) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL6493190 0.73 SMN1; SMN2 (0.49) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL12414740 0.73 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL3951994 0.73 POLB (0.42) POLBALDH1A1SMN1; SMN2MAPK1MEN1

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-2012082997-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA-ROCHE AG (CH) 2012-06-21 WO disclosed