SCHEMBL6985588

SCHEMBL6985588

CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ACACB O00763 6/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
ADORA3 P0DMS8 3/20 0.51
ADORA1 P30542 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL3133857 0.91 TPH1 (0.60) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL6985968 0.86 ADORA3 (0.63) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL6978701 0.78 LMNA (0.51) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL6982880 0.77 TPH1 (0.56) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL14123279 0.76 LMNA (0.55) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL171438 0.74 HPGD (0.71) GAAHPGDMEN1ALDH1A1MAPT
SCHEMBL12551437 0.73 SRD5A2 (0.51) MAPK1ACACBPPARDPPARAHPGD
SCHEMBL7244671 0.73 ALDH1A1 (0.51) LMNAGAAMAPK1ALOX15TSHR
SCHEMBL21887691 0.73 MAPK1 (0.58) MAPK1TSHRHPGDMEN1ALDH1A1
SCHEMBL15305720 0.72 ADORA3 (0.50) LMNAGAAALOX15ADORA3ADORA1

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 7 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-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