SCHEMBL4199608

SCHEMBL4199608

Nc1cc(-c2cccc(CCCN3CCOCC3)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
POLB P06746 1/20 0.53
MAPK14 Q16539 5/20 0.51
MAPK13 O15264 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
PRKAB2 O43741 1/20 0.43
LCK P06239 1/20 0.43
SRC P12931 1/20 0.43
FLT1 P17948 1/20 0.43
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 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
SCHEMBL3211606 0.78 SIGMAR1 (0.69) SIGMAR1POLBMAPK14HTTKMT2A
SCHEMBL3133105 0.78 SIGMAR1 (0.58) SIGMAR1POLBMAPK14HTTKMT2A
SCHEMBL1332781 0.76 ALDH1A1 (0.56) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL3135136 0.76 SIGMAR1 (0.56) SIGMAR1POLBMAPK14HTTKMT2A
SCHEMBL31485199 0.73 IRAK4 (0.49) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL27338664 0.72 SIGMAR1 (0.67) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL1651281 0.72 SIGMAR1 (0.67) SIGMAR1POLBHTTKMT2ADRD2
SCHEMBL18757112 0.72 SIGMAR1 (0.45) SIGMAR1POLBMAPK14ABL1BCR
SCHEMBL29615558 0.72 HRH3 (0.57) SIGMAR1HTTSRCKDM4EALDH1A1
SCHEMBL22918726 0.72 HRH3 (0.57) SIGMAR1HTTSRCKDM4EALDH1A1

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-2027087-A2 INTRACELLULAR KINASE INHIBITORS MannKind Corporation (US) 2009-02-25 EP disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 WO disclosed