SCHEMBL3520240

SCHEMBL3520240

Nc1ncn(CCC2CCNCC2)c2ncnc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ABL1 P00519 5/20 0.35
TLR7 Q9NYK1 6/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CD O00329 3/20 0.34
EGFR P00533 3/20 0.34
HCK P08631 3/20 0.34
KDR P35968 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 3/20 0.34
EPHB4 P54760 3/20 0.34
PRKDC P78527 3/20 0.34
PI4KB Q9UBF8 3/20 0.34

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
SCHEMBL13732328 0.81 SRC (0.33) SRCABL1LMNATSHRHTT
SCHEMBL3519511 0.79 TGFBR1 (0.39)
SCHEMBL3516432 0.76 ADORA2A (0.56) LMNAPI4KB
SCHEMBL9108201 0.73 ADORA2A (0.36) LMNAPI4KB
3-Propyladenine SCHEMBL15756434 0.72 ADORA2A (0.53) LMNAPI4KB
SCHEMBL8543711 0.72 LMNA (0.39) TLR7LMNATSHRHTTNPSR1
SCHEMBL10267988 0.71 SRC (0.46) SRCHSP90AA1HSP90AB1ABL1PIK3CD
SCHEMBL3516678 0.71 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL5513295 0.69 ADORA2A (0.35) LMNAPI4KB
SCHEMBL170695 0.68 ADORA2A (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed