SCHEMBL5757523

SCHEMBL5757523

Nc1cnn2ccc(-c3ccncc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
KDR P35968 2/20 0.40
SCN5A Q14524 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 3/20 0.37
TTK P33981 3/20 0.37
AURKB Q96GD4 3/20 0.37
INCENP Q9NQS7 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
HTR6 P50406 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 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
SCHEMBL5759500 0.80 SCN5A (0.37) SCN5AEPHB3SMPD3QDPR
SCHEMBL5758404 0.75 SCN5A (0.34) SCN5AEPHB3
SCHEMBL33849 0.74 SMPD3 (0.40) CHEK1AURKALMNAMAPTKDM4E
SCHEMBL23385229 0.72 SMPD3 (0.38) PIK3CDPIK3CBSMPD3MAP4K4
SCHEMBL28626251 0.72 EPHB3 (0.43) PIK3CDPIK3CBCYP3A4ALDH1A1HPGD
SCHEMBL33995 0.72 SMPD3 (0.38) MEN1ADRA2BKMT2ASMPD3MAP4K4
SCHEMBL20731021 0.72 SMPD3 (0.45) LMNAPIK3CDCYP3A4KDM4EMEN1
SCHEMBL5495169 0.71 SMPD3 (0.37) LMNAMAPTCYP3A4KDM4EMEN1
SCHEMBL12928972 0.70 PIK3CB (0.41) AAK1LMNAMAPTPIK3CDPIK3CB
SCHEMBL20731024 0.68 EPHB3 (0.45) HTR6MAPTCYP11B1CYP11B2CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP claimed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US claimed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP claimed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO claimed
EP-1233743-B1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES OREAL (FR) 2006-02-15 EP disclosed
US-6730789-B1 RADIATION RESISTANCE, WEATHERPROOF, WASHFASTNESS, COLORFASTNESS; HAIR DYES L'OREAL S.A. (FR) 2004-05-04 US disclosed
EP-1233743-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINES L'OREAL (FR) 2002-08-28 EP disclosed
WO-2001035917-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBRES CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES, DYEING METHOD, NOVEL 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINES L'OREAL (FR) 2001-05-25 WO disclosed