SCHEMBL7999948

SCHEMBL7999948

Nc1nc(N)nc(-c2ccc(-c3ccccc3C=O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.55
ADORA2A P29274 3/20 0.53
ADORA1 P30542 3/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADORA2B P29275 2/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
IKBKB O14920 1/20 0.43
BRAF P15056 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL891161 0.86 SMN1; SMN2 (0.53) XDHADORA2AADORA1ADORA3ADORA2B
SCHEMBL11768743 0.80 LMNA (0.60) XDHTSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL30497064 0.80 LMNA (0.60) XDHTSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL643994 0.78 XDH (0.51) XDHRAB9ANPC1TSHRSMN1; SMN2
Benzoguanamine SCHEMBL15641734 0.74 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL977958 0.74 XDH (0.54) XDHRAB9ANPC1TSHRSMN1; SMN2
SCHEMBL30924956 0.74 XDH (0.54) XDHRAB9ANPC1TSHRSMN1; SMN2
SCHEMBL2561391 0.74 FEN1 (0.47) XDHMEN1LMNATHRBBLM
SCHEMBL96494 0.73 LMNA (0.57) XDHRAB9ANPC1TSHRSMN1; SMN2
SCHEMBL5711323 0.73 LMNA (0.57) XDHRAB9ANPC1TSHRSMN1; SMN2

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
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
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