SCHEMBL7833669

SCHEMBL7833669

Cc1cc(NCc2cccnc2)n2nc(C(C)(C)C)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.57
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK2 P24941 6/20 0.46
CCNE1 P24864 4/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
STAT1 P42224 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7831493 0.86 CDK2 (0.54) GSK3BKDM4EHSD17B10MEN1KMT2A
SCHEMBL12954031 0.81 GSK3B (0.67) GSK3BKDM4EHSD17B10MEN1KMT2A
SCHEMBL7819220 0.79 KDM4E (0.58) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7830853 0.78 F2 (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7831500 0.76 TUBB4A (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7827676 0.76 ALDH1A1 (0.47) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7819484 0.75 TP53 (0.59) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL30457108 0.74 BRD4 (0.48) GSK3BKDM4EHSD17B10MEN1KMT2A
SCHEMBL7830106 0.74 PDE2A (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7831632 0.74 BRD4 (0.42) KDM4EHSD17B10CDK2ALDH1A1NPC1

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-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP claimed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP disclosed