SCHEMBL5791898

SCHEMBL5791898

Cc1cc(N2CCN(c3ccccn3)CC2)nc(N)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
GFER P55789 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
DHFR P00374 2/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
PHGDH O43175 1/20 0.50
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL5789359 0.85 CRHBP (0.64) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL5742555 0.82 MAPT (0.97) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL5788789 0.79 CRHBP (0.60) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL27886711 0.78 HRH3 (0.66) MAPTDHFRHRH3ALDH1A1HRH4
SCHEMBL5030785 0.78 RAB9A (0.63) MAPTSMN1; SMN2KDM4EHPGDTSHR
SCHEMBL1616232 0.78 HRH4 (0.72) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL5788921 0.77 CRHBP (0.96) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL5790678 0.77 HRH4 (0.54) MAPTGFERSMN1; SMN2CRHBPCRHR2
SCHEMBL15800694 0.77 PLD1 (0.73) MAPTSMN1; SMN2KDM4EHPGDTSHR
SCHEMBL21353591 0.77

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