SCHEMBL6206417

SCHEMBL6206417

NCCCNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCCn1cnc(-c2cccnc2)c1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.O=C(NCCCn1ccnc1)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.O=C(NCCN1CCCC1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
WNT1 P04628 5/20 0.37
DYRK1A Q13627 5/20 0.37
GSK3B P49841 2/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR3A P46098 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
NAMPT P43490 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1461214 0.96 CHRNA7 (0.36) CHRNA7WNT1DYRK1AGSK3BALDH1A1
SCHEMBL4509727 0.82 GSK3B (0.53) DYRK1AGSK3BCDK1CDK2NAMPT
SCHEMBL4509800 0.78 GSK3B (0.59) GSK3BALDH1A1L3MBTL1CDK1CDK2
SCHEMBL4497527 0.78 KDM4E (0.50) GSK3BALDH1A1L3MBTL1CDK1CDK2
SCHEMBL4494753 0.74 GSK3B (0.64) WNT1DYRK1AGSK3BCDK1CDK2
SCHEMBL4500932 0.73 GSK3B (0.62) GSK3BCDK1CDK2HSD17B10HTR3A
SCHEMBL6207558 0.72 GSK3B (0.58) GSK3BCDK1CDK2HSD17B10HTR3A
SCHEMBL4492707 0.71 GSK3B (0.69) GSK3BCDK1CDK2
SCHEMBL2337608 0.71 GSK3B (0.49) GSK3BCDK1CDK2HSD17B10HTR3A
SCHEMBL1461200 0.71 GSK3B (0.61) GSK3BCDK1CDK2HSD17B10

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-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP disclosed
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 WO disclosed