SCHEMBL6981223

SCHEMBL6981223

Nc1nc(N)nc(C2CCN(C(=O)c3ccccc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
LMNA P02545 1/20 0.54
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAP3K12 Q12852 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL6976291 0.80 LMNA (0.55) ACHELMNAEPHX1L3MBTL3L3MBTL1
SCHEMBL6969942 0.79 MAP3K12 (0.60) ACHELMNAMAP3K12SMN1; SMN2HTR2B
SCHEMBL4206605 0.77 CA12 (0.71) ACHEEPHX1L3MBTL3L3MBTL1MEN1
SCHEMBL6975639 0.76 MAP3K12 (0.49) ACHELMNAEPHX1MEN1KMT2A
SCHEMBL6580374 0.75 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1MEN1
SCHEMBL409005 0.75 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1MEN1
SCHEMBL4003983 0.74 ACHE (0.73) ACHEEPHX1L3MBTL3L3MBTL1MEN1
SCHEMBL6982632 0.74 DHFR (0.48) LMNAL3MBTL3L3MBTL1NTSR1
SCHEMBL21084408 0.74 LMNA (0.67) ACHELMNAEPHX1L3MBTL3L3MBTL1
SCHEMBL13212972 0.74 CA12 (0.71) ACHEEPHX1MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP claimed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US claimed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed