SCHEMBL6233997

SCHEMBL6233997

CNc1nc(NC2CCC(N(C)C)CC2)nc(N(c2ccc(OC)c(Cl)c2)C2CCCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 1/20 0.41
BCL6 P41182 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
AGER Q15109 1/20 0.38
KMT2A Q03164 1/20 0.37
CCR4 P51679 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MELK Q14680 3/20 0.35
MAPK1 P28482 1/20 0.35
DAPK3 O43293 2/20 0.34

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
SCHEMBL6919068 0.81 BCL6 (0.41) SMN1; SMN2PDE4ABCL6ALDH1A1MAPT
SCHEMBL4829776 0.78 BCL6 (0.59) SMN1; SMN2BCL6MAPTLMNAKMT2A
SCHEMBL4837927 0.76 BCL6 (0.55) SMN1; SMN2BCL6ALDH1A1MAPTKDM4E
SCHEMBL6240040 0.74 EGFR (0.37) PDE4ABCL6MAPTLRRK2ALK
SCHEMBL6920807 0.74 HTT (0.42) BCL6ALDH1A1MAPTKDM4ELMNA
SCHEMBL4839057 0.72 PTK2 (0.38) BCL6MAPTLMNAKMT2AJAK2
SCHEMBL5556168 0.72 SMN1; SMN2 (0.41) SMN1; SMN2PDE4ABCL6ALDH1A1MAPT
SCHEMBL6016921 0.72 SMN1; SMN2 (0.42) SMN1; SMN2BCL6ALDH1A1MAPTKMT2A
SCHEMBL4839209 0.70 EHMT2 (0.50) SMN1; SMN2BCL6ALDH1A1MAPTKDM4E
SCHEMBL5422658 0.70 EHMT2 (0.43) SMN1; SMN2PDE4ABCL6ALDH1A1MAPT

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