SCHEMBL8535478

SCHEMBL8535478

CN(C)c1nc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ MAPK1 P28482 1/20 0.60
▸ LMNA P02545 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ ATM Q13315 1/20 0.55
▸ HTT P42858 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL19295121 0.84 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2MAPK1LMNATSHR
SCHEMBL11552038 0.83 ALDH1A1 (0.45) SMN1; SMN2CYP1A2MAPK1LMNATSHR
SCHEMBL1308905 0.82 MAPT (0.61) SMN1; SMN2MAPK1LMNAHTTALDH1A1
SCHEMBL38827 0.82 MAPT (0.57) SMN1; SMN2MAPK1LMNAHTTALDH1A1
SCHEMBL8537283 0.80 LMNA (0.61) MAPK1LMNATSHRHTTALDH1A1
SCHEMBL912709 0.77 MAPT (0.54) SMN1; SMN2CYP1A2MAPK1LMNAHTT
SCHEMBL18383753 0.77 MAPT (0.51) SMN1; SMN2CYP1A2HTTALDH1A1NPSR1
SCHEMBL28998051 0.77 ALDH1A1 (0.59) SMN1; SMN2MAPK1LMNATSHRHTT
SCHEMBL15386251 0.77 MAPT (0.50) SMN1; SMN2MAPK1HTTALDH1A1NPSR1
SCHEMBL1310780 0.76 MAPT (0.60) SMN1; SMN2MAPK1LMNAHTTALDH1A1

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
US-9951040-B2 1,3,5 -triazine based PI3K inhibitors as anticancer agents and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 — — US disclosed
EP-0629622-B1 S-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-11-11 — — EP disclosed
US-5489591-A INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-02-06 — — US disclosed
EP-0629622-A1 s-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-12-21 — — EP disclosed
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