SCHEMBL6982632

SCHEMBL6982632

Nc1nc(N)nc(C2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.48
MAPT P10636 3/20 0.47
GFER P55789 2/20 0.47
HTR1A P08908 3/20 0.45
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
HTR6 P50406 3/20 0.45
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.41
USP30 Q70CQ3 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6978036 0.91 DHFR (0.50) DHFRMAPTGFERHTR1ADRD2
SCHEMBL6983539 0.80 DHFR (0.51) DHFRMAPTDRD2L3MBTL1GAA
SCHEMBL6981484 0.76 DRD2 (0.58) DRD2L3MBTL1
SCHEMBL6982271 0.75 DHFR (0.45) DHFRMAPTGAALMNA
SCHEMBL6982266 0.75 DHFR (0.45) DHFRMAPTGAALMNA
SCHEMBL16763481 0.72 SLC18A3 (0.47) DHFRMAPTGFERMBTD1L3MBTL3
SCHEMBL7446491 0.72 MBTD1 (0.55) DHFRDRD2MBTD1L3MBTL3L3MBTL1
SCHEMBL19209917 0.71 DHFR (0.63) DHFRMAPTGFER
SCHEMBL7193572 0.71 PDE10A (0.45) MAPTGFERGAA
SCHEMBL8052575 0.71 PDE10A (0.45) MAPTGFERGAA

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