SCHEMBL12533503

SCHEMBL12533503

Oc1ccc(CN2CCC(Nc3ncnc4sc5c(c34)CCCC5)CC2)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.73
IRAK4 Q9NWZ3 1/20 0.52
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 5/20 0.49
NOD2 Q9HC29 1/20 0.48
MAPT P10636 3/20 0.46
PDE5A O76074 1/20 0.46
HTR2B P41595 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
RBP4 P02753 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL1920963 0.87 MEN1 (0.82) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1605200 0.87 MEN1 (0.96) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1920737 0.86 MEN1 (0.78) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL12734237 0.86 MEN1 (0.80) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1604254 0.86 MEN1 (0.80) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1651778 0.86 MEN1 (0.80) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1604266 0.85 MEN1 (0.77) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1653600 0.85 MEN1 (0.70) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL10343392 0.85 MEN1 (1.00) MEN1IRAK4KMT2ARAB9ARXFP1
SCHEMBL1652468 0.83 MEN1 (0.76) MEN1IRAK4KMT2ARAB9ARXFP1

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-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed