SCHEMBL6983221

SCHEMBL6983221

CC(=O)Nc1nc(N)nc(C2CCC(c3ccccc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HDAC4 P56524 1/20 0.39
DEGS1 O15121 1/20 0.38
DHFR P00374 2/20 0.38
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL6979824 0.91 ADORA3 (0.48) SCN9AADORA3ADORA1LMNAPOLB
SCHEMBL6982266 0.79 DHFR (0.45) ADORA3ADORA1LMNAPOLBHSP90AA1
SCHEMBL6982271 0.79 DHFR (0.45) ADORA3ADORA1LMNAPOLBHSP90AA1
SCHEMBL13554533 0.70 POLB (0.52) ADORA3ADORA1LMNAPOLBALDH1A1
SCHEMBL3298153 0.70 POLB (0.52) ADORA3ADORA1LMNAPOLBALDH1A1
SCHEMBL6986692 0.69 AKR1C3 (0.41) POLBHDAC4DEGS1ALDH1A1KDM4E
SCHEMBL6982880 0.69 TPH1 (0.56) ADORA3ADORA1LMNAPOLBALDH1A1
SCHEMBL10345096 0.67 HDAC1 (0.40) ADORA3ADORA1POLBALDH1A1BRAF
SCHEMBL18869949 0.67 NPY5R (0.56) ALDH1A1
Carbamic Acid SCHEMBL9679981 0.66 AKR1C3 (0.59) DEGS1SLC18A3ALDH1A1KDM4EMAPT

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-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 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