SCHEMBL12428901

SCHEMBL12428901

Nc1cnn(C2CCCCC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
HPGD P15428 1/20 0.41
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
PDE9A O76083 1/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 2/20 0.35
FLT3 P36888 1/20 0.34
PI4KB Q9UBF8 3/20 0.33
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12427509 0.98 ALOX15 (0.47) ALOX15HPGDCNR2TSHRSMN1; SMN2
SCHEMBL6004006 0.86 ALOX15 (0.41) ALOX15HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL7886968 0.81 ALOX15 (0.44) ALOX15SMN1; SMN2GAAPDE9AALDH1A1
SCHEMBL3061038 0.78 ALOX15 (0.72) ALOX15HPGDCNR2TSHRSMN1; SMN2
SCHEMBL10025048 0.77 ALOX15 (0.41) ALOX15HPGDCNR2TSHRSMN1; SMN2
SCHEMBL2076461 0.77 PKM (0.57) ALOX15HPGDALDH1A1PKMKDM4E
SCHEMBL14824946 0.77 ALDH1A1 (0.41) ALOX15HPGDCNR2TSHRSMN1; SMN2
SCHEMBL10670539 0.75 CNR2 (0.57) CNR2SMN1; SMN2PDE9AALDH1A1MAPT
SCHEMBL27737776 0.75 HSD11B1 (0.40) ALOX15HPGDCNR2KDM4EKMT2A
SCHEMBL10674677 0.75 CNR2 (0.44) ALOX15CNR2SMN1; SMN2PDE9AALDH1A1

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-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed