SCHEMBL6978463

SCHEMBL6978463

CNc1nc(NC)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
TRIM58 Q8NG06 1/20 0.53
NUDT1 P36639 1/20 0.50
ADORA1 P30542 6/20 0.49
ADORA2A P29274 2/20 0.49
IDH2 P48735 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ADORA2B P29275 2/20 0.46
IDH1 O75874 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRNA7 P36544 1/20 0.43
IMPDH2 P12268 1/20 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
SCHEMBL1030285 0.96 TDP1 (0.61) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL24218050 0.91 TDP1 (0.61) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL6975276 0.87 ADORA2A (0.60) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL24303880 0.87 TRIM58 (0.54) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL13765582 0.85 IDH1 (0.53) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL19240826 0.85 IDH2 (0.69) TDP1IDH2L3MBTL1LMNAGAA
SCHEMBL22435819 0.84 L3MBTL1 (0.67) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL24806809 0.83 TDP1 (0.49) TDP1TRIM58NUDT1ADORA1ADORA2A
SCHEMBL15131484 0.83 NPC1 (0.56) TDP1NUDT1IDH1LMNAMEN1
SCHEMBL2262628 0.82 LMNA (0.59) TDP1TRIM58NUDT1ADORA1ADORA2A

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 6 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
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