SCHEMBL6980554

SCHEMBL6980554

COc1ccc(C2(c3nc(N)nc(N)n3)CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.58
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
DCAF15 Q66K64 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EHMT2 Q96KQ7 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP3A4 P08684 1/20 0.39
CTSE P14091 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 2/20 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
SCHEMBL8152058 0.89 ALDH1A1 (0.48) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10086337 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112726 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112733 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL19268518 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL25986515 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112736 0.80 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL6985863 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL9607811 0.78 BACE1 (0.54) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL12808406 0.78 BACE1 (0.57) BACE1SLC6A4SLC6A3GRIN1GRIN2A

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 10 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-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP claimed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO 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