SCHEMBL6982880

SCHEMBL6982880

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 7/20 0.56
GAA P10253 2/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA3 P0DMS8 4/20 0.55
ADORA1 P30542 3/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADORA2A P29274 2/20 0.51
POLB P06746 2/20 0.51
ADORA2B P29275 1/20 0.51

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
SCHEMBL6985968 0.89 ADORA3 (0.63) GAATSHRLMNAALOX15MAPK1
SCHEMBL3133857 0.88 TPH1 (0.60) TPH1GAATSHRLMNAALOX15
SCHEMBL6984930 0.87 TSHR (0.52) TPH1GAATSHRLMNAALOX15
SCHEMBL2229906 0.83 NPSR1 (0.56) TPH1GAATSHRLMNAALOX15
SCHEMBL7978560 0.82 NPSR1 (0.52) TPH1GAATSHRLMNAALOX15
SCHEMBL3945635 0.82 ADORA1 (0.60) TPH1TSHRLMNAALOX15MAPK1
Benzoguanamine SCHEMBL8849771 0.80 ADORA1 (0.61) TPH1TSHRALOX15ADORA3ADORA1
SCHEMBL6975276 0.80 ADORA2A (0.60) TPH1TSHRALOX15ADORA3ADORA1
SCHEMBL6985588 0.77 LMNA (0.55) TPH1GAATSHRLMNAALOX15
SCHEMBL527618 0.76 ADORA2A (0.64) TPH1TSHRALOX15ADORA3ADORA1

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 9 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
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