SCHEMBL6985968

SCHEMBL6985968

CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.63
ADORA1 P30542 3/20 0.63
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HPGD P15428 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADORA2A P29274 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ADORA2B P29275 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
SCHEMBL6982880 0.89 TPH1 (0.56) ADORA3ADORA1LMNATSHRGAA
SCHEMBL6985588 0.86 LMNA (0.55) ADORA3ADORA1LMNATSHRGAA
SCHEMBL6978701 0.85 LMNA (0.51) ADORA3ADORA1LMNATSHRGAA
SCHEMBL14123279 0.82 LMNA (0.55) ADORA3ADORA1LMNATSHRGAA
SCHEMBL24303192 0.79 TSHR (0.48) ADORA3ADORA1LMNATSHRGAA
SCHEMBL7244671 0.79 ALDH1A1 (0.51) ADORA3ADORA1LMNATSHRGAA
SCHEMBL9566583 0.79 ADORA1 (0.70) ADORA3ADORA1LMNAMAPK1ALDH1A1
SCHEMBL17451134 0.78 ADORA1 (0.69) ADORA3ADORA1TSHRMAPTALDH1A1
SCHEMBL3133857 0.77 TPH1 (0.60) ADORA3ADORA1LMNATSHRGAA
SCHEMBL26055757 0.77 ADORA1 (1.00) ADORA3ADORA1LMNAGAAMAPT

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