SCHEMBL6607397

SCHEMBL6607397

CN1CCC(Nc2nc(Nc3ccc4ccccc4c3)nc(N(C)C3CCCCCC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.53
EHMT2 Q96KQ7 5/20 0.47
EHMT1 Q9H9B1 5/20 0.47
ADORA3 P0DMS8 1/20 0.44
RAB9A P51151 1/20 0.40
JAK3 P52333 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL4836252 0.96 IDH2 (0.50) IDH2EHMT2EHMT1ADORA3RAB9A
SCHEMBL4832352 0.93 IDH2 (0.53) IDH2EHMT2EHMT1ADORA3IRAK4
SCHEMBL5420312 0.85 IDH2 (0.48) IDH2EHMT2EHMT1RAB9AIRAK4
SCHEMBL14268864 0.82 IDH2 (0.48) IDH2EHMT2EHMT1RAB9AIRAK4
SCHEMBL5038228 0.82 BCL6 (0.56) IDH2EHMT2EHMT1RAB9A
SCHEMBL6856715 0.82 EHMT2 (0.54) IDH2EHMT2EHMT1CTSLCTSS
SCHEMBL5029195 0.82 IDH2 (0.57) IDH2EHMT2EHMT1CTSLCTSS
SCHEMBL14274165 0.81 CTSL (0.59) IDH2EHMT2EHMT1RAB9ACTSL
SCHEMBL6016997 0.81 IDH2 (0.43) IDH2EHMT2ADORA3RAB9AJAK3
SCHEMBL4879100 0.81 RAB9A (0.47) IDH2EHMT2EHMT1RAB9AIRAK4

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
EP-1436266-A4 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-12-22 EP claimed
EP-1436266-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2004-07-14 EP claimed
WO-2003024926-A2 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2003-03-27 WO claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed