SCHEMBL5792620

SCHEMBL5792620

Cc1cc(N2CCCN(CCc3ccccc3)CC2)nc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.61
▸ CASP4 P49662 1/20 0.61
▸ CASP5 P51878 1/20 0.61
▸ MAPT P10636 2/20 0.58
▸ GFER P55789 1/20 0.58
▸ CRHBP P24387 2/20 0.56
▸ CRHR2 Q13324 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ EHMT2 Q96KQ7 1/20 0.53
▸ HRH4 Q9H3N8 3/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48

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
SCHEMBL5793401 0.89 CRHBP (0.53) CASP1CASP4CASP5MAPTGFER
SCHEMBL5792740 0.83 CRHBP (0.68) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5791838 0.82 CRHBP (0.62) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5792121 0.81 CRHBP (0.61) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5792508 0.76 CRHBP (0.60) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5788914 0.76 HRH4 (0.73) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5742555 0.76 MAPT (0.97) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5788921 0.75 CRHBP (0.96) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5792439 0.74 CRHBP (0.57) MAPTGFERCRHBPCRHR2SMN1; SMN2
SCHEMBL5790907 0.74 CRHBP (0.57) MAPTGFERCRHBPCRHR2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 — — WO claimed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 — — EP claimed
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 — — WO disclosed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 — — EP disclosed
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