SCHEMBL6282299

SCHEMBL6282299

CNc1nc(Oc2ccc(OC)c(Cl)c2)nc(N(C2CCCCCC2)C2CCN(C)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
BCL6 P41182 2/20 0.37
EHMT2 Q96KQ7 5/20 0.37
EHMT1 Q9H9B1 4/20 0.37
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
RECQL P46063 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL6819218 0.89 OPRM1 (0.35) OPRM1OPRL1EHMT2EHMT1EGFR
SCHEMBL6016904 0.83 BCL6 (0.48) BCL6EHMT2KMT2AMAPTGAA
SCHEMBL5032475 0.83 EHMT2 (0.49) BCL6EHMT2EHMT1ALDH1A1MAPT
SCHEMBL6236057 0.80 OPRM1 (0.36) OPRM1OPRL1KMT2AMAPK1MAPT
SCHEMBL6240040 0.78 EGFR (0.37) BCL6EHMT2EHMT1MAPTGAA
SCHEMBL5422822 0.76 BCL6 (0.47) BCL6EHMT2ALDH1A1KMT2AMAPK1
SCHEMBL4839057 0.76 PTK2 (0.38) BCL6EHMT2EHMT1KMT2AMAPT
SCHEMBL4829119 0.76 SRC (0.44) BCL6EGFRERBB2HRH4
Hydrochloric Acid SCHEMBL6611422 0.74 EHMT2 (0.45) BCL6EHMT2EHMT1EGFR
SCHEMBL4838781 0.74 EHMT2 (0.41) BCL6EHMT2EHMT1HRH4KDR

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