SCHEMBL7706472

SCHEMBL7706472

Cc1cc(NCc2ccccc2)n2nc(C)nc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HSD17B10 Q99714 1/20 0.64
BRD4 O60885 1/20 0.62
LMNA P02545 1/20 0.61
PDE2A O00408 2/20 0.60
PI4KB Q9UBF8 1/20 0.60
TP53 P04637 3/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDM1A O60341 2/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL7819172 0.88 TP53 (0.64) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL7712315 0.81 GAA (1.00) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL7712463 0.79 L3MBTL1 (0.70) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL14369601 0.76 KDM4E (0.59) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL17731474 0.76 KDM4E (0.75) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL7712318 0.75 GAA (0.57) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL17731346 0.75 PDE2A (1.00) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL7706435 0.75 TSHR (0.51) GAAHPGDTSHRALDH1A1LMNA
SCHEMBL7272830 0.74 GAA (0.52) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL18997819 0.74 F2 (0.62) HPGDTSHRALDH1A1KDM4EHSD17B10

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
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed