SCHEMBL12440249

SCHEMBL12440249

CNc1nc2ccccc2n2c(CC(C)(C)O)cnc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
TOP2A P11388 1/20 0.46
IKBKB O14920 6/20 0.45
CHUK O15111 3/20 0.45
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LCK P06239 1/20 0.38
BRD4 O60885 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL12022885 0.82 TLR7 (0.46)
SCHEMBL2815566 0.80 HTR2C (0.51) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL16520172 0.80 TLR7 (0.34) KDM4ESMN1; SMN2BRD4MEN1KMT2A
SCHEMBL2815787 0.79 HTR2C (0.50) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL2819718 0.75 IKBKB (0.69) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL2816677 0.73 HTR2C (0.51) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL14884413 0.72 TLR7 (0.48) MEN1KMT2A
SCHEMBL17895220 0.72 IKBKB (0.49) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL2815167 0.72 HTR2C (0.47) HTR2CTOP2AIKBKBCHUKKDM4E
SCHEMBL2815052 0.72 HTR2C (0.47) HTR2CTOP2AIKBKBCHUKKDM4E

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
EP-2357184-A1 Imidazoquinoxaline compounds as immunomodulators Novartis AG (CH) 2011-08-17 EP disclosed