SCHEMBL6984930

SCHEMBL6984930

CC(=O)Nc1nc(N)nc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TPH1 P17752 7/20 0.46
CYP2C19 P33261 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRMT1 Q99873 2/20 0.43

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
SCHEMBL6978701 0.91 LMNA (0.51) TSHRLMNAMAPK1GAAALOX15
SCHEMBL6982880 0.87 TPH1 (0.56) TSHRUSP2LMNAMAPK1GAA
SCHEMBL3133857 0.81 TPH1 (0.60) TSHRLMNAMAPK1GAAALOX15
SCHEMBL6982568 0.81 ADORA3 (0.62) TSHRGAAALOX15CYP2C19ADORA3
SCHEMBL8130030 0.78 ADORA3 (0.41) TSHRUSP2LMNAMAPK1GAA
SCHEMBL6985968 0.76 ADORA3 (0.63) TSHRLMNAMAPK1GAAALOX15
SCHEMBL2229906 0.74 NPSR1 (0.56) TSHRUSP2LMNAMAPK1GAA
SCHEMBL7978560 0.73 NPSR1 (0.52) TSHRUSP2LMNAMAPK1GAA
SCHEMBL3945635 0.73 ADORA1 (0.60) TSHRUSP2LMNAMAPK1ALOX15
SCHEMBL27655947 0.72 KDM1A (0.58) TSHRUSP2ALOX15MAPTKMT2A

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