SCHEMBL5789359

SCHEMBL5789359

Cc1cc(N2CCN(c3ncccn3)CC2)nc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.62
GFER P55789 1/20 0.62
HRH3 Q9Y5N1 5/20 0.54
BLM P54132 1/20 0.51
HRH4 Q9H3N8 4/20 0.49
KMT2A Q03164 2/20 0.46
EHMT2 Q96KQ7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5791898 0.85 MAPT (0.68) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL1616232 0.80 HRH4 (0.72) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5788921 0.80 CRHBP (0.96) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5788789 0.79 CRHBP (0.60) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL24313224 0.78 CRHBP (1.00) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL6600071 0.78 CRHBP (1.00) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5742555 0.78 MAPT (0.97) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL14138875 0.77 GPR119 (0.58) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5791355 0.77 CRHBP (0.57) CRHBPCRHR2SMN1; SMN2MAPTGFER
SCHEMBL5789932 0.76 CRHBP (1.00) CRHBPCRHR2SMN1; SMN2MAPTGFER

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