SCHEMBL6233712

SCHEMBL6233712

CNc1nc(N)nc(N(c2ccc(OC)c(F)c2)C2CCN(C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
EHMT2 Q96KQ7 2/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
BCL6 P41182 1/20 0.35
QPCT Q16769 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
HTR7 P34969 1/20 0.34
PTPN11 Q06124 1/20 0.34
FGFR3 P22607 2/20 0.33
JAK2 O60674 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
SCHEMBL5032272 0.88 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDHRH4EHMT2
SCHEMBL6818739 0.86 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDHRH4EHMT2
SCHEMBL6237774 0.83 EHMT2 (0.45) ALDH1A1KDM4EHPGDTSHRCASP1
SCHEMBL5438494 0.82 SMN1; SMN2 (0.45) ALDH1A1KDM4EHPGDBCL6
SCHEMBL6856412 0.79 SPIN1 (0.40) ALDH1A1KDM4EHPGDTSHREHMT2
SCHEMBL5424915 0.78 EHMT2 (0.39) EHMT2HTR2AEHMT1GALR2GALR1
SCHEMBL6920807 0.78 HTT (0.42) ALDH1A1KDM4EHPGDTSHRHRH4
SCHEMBL5421592 0.77 EHMT2 (0.39) HRH4EHMT2HTR1ADRD2HTR2A
SCHEMBL4839029 0.77 GALR1 (0.46) EHMT2BCL6EHMT1FGFR3GALR2
SCHEMBL4841050 0.75 SMN1; SMN2 (0.39) ALDH1A1KDM4ETSHRBCL6GALR1

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-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed