SCHEMBL4772313

SCHEMBL4772313

O=C(c1ccccc1)c1ccc(Nc2ncncn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.65
MAPK12 P53778 3/20 0.65
MAPK11 Q15759 3/20 0.65
MAPK14 Q16539 3/20 0.65
DHODH Q02127 1/20 0.54
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
FFAR1 O14842 1/20 0.47
SRD5A2 P31213 1/20 0.47
VNN1 O95497 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
HPGD P15428 3/20 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
SCHEMBL11136814 0.84 AURKA (0.58) RAB9ANPC1AURKAAURKBSMN1; SMN2
SCHEMBL29134257 0.81 ALDH1A1 (0.56) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL29196087 0.81 MAPK13 (0.95) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL609197 0.81 BCL6 (0.57) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5154269 0.79 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL10382992 0.79 RAB9A (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL28121626 0.79 NPC1 (0.60) TTBK1TTBK2MEN1KMT2ARAB9A
SCHEMBL4774160 0.78 BCL6 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2742816 0.77 MAPK13 (0.95) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL11963751 0.77 RHOA (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP claimed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO claimed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO claimed
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP disclosed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed