SCHEMBL2903811

SCHEMBL2903811

Nc1nc(NCCCn2cc(C(=O)NCc3cccnc3)c(-c3ccc(-n4ccnc4)cc3)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTT P42858 3/20 0.42
CDK1 P06493 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL2911937 0.89 CDK1 (0.42) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2904020 0.87 CDK1 (0.41) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2909662 0.86 GSK3A (0.44) CDK1GSK3AGSK3BSMN1; SMN2KMT2A
SCHEMBL2909439 0.86 CDK1 (0.40) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2911880 0.86 CDK1 (0.40) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2909924 0.86 CDK1 (0.40) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2912739 0.86 CDK1 (0.40) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2913331 0.85 CDK1 (0.41) CDK1GSK3AGSK3BSMN1; SMN2KMT2A
SCHEMBL2912330 0.85 CDK1 (0.40) HTTCDK1GSK3AGSK3BSMN1; SMN2
SCHEMBL2903846 0.84 GSK3A (0.41) HTTCDK1GSK3AGSK3BSMN1; SMN2

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-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed