SCHEMBL6986219

SCHEMBL6986219

Nc1nc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.67
ADORA2A P29274 5/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADORA2B P29275 2/20 0.67
POLB P06746 1/20 0.67
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL2250601 0.96 ADORA2A (0.72) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL30205277 0.96 ADORA2A (0.72) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL6977514 0.86 ADORA1 (0.91) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL4201340 0.86 L3MBTL1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL18468590 0.86 L3MBTL1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL4031522 0.86 MEN1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL18468613 0.86 L3MBTL1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL6334237 0.86 ADORA1 (0.82) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL16332656 0.86 L3MBTL1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB
SCHEMBL29385431 0.86 L3MBTL1 (0.54) ADORA1ADORA2AADORA3ADORA2BPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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