SCHEMBL9189799

SCHEMBL9189799

COc1nc(N)nc(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.64
ADORA1 P30542 4/20 0.64
ADORA3 P0DMS8 2/20 0.64
ADORA2B P29275 2/20 0.64
POLB P06746 1/20 0.64
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL19023810 0.86 KMT2A (0.61) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1130501 0.86 KMT2A (0.61) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL3627859 0.84 ADORA2A (0.83) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL13996091 0.82 KMT2A (0.57) ADORA2AADORA1ADORA3ADORA2BPOLB
Hydrochloric Acid SCHEMBL30612906 0.82 HRH4 (0.47) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL25352193 0.81 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL8524606 0.80 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL28634836 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL27898 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB
Benzoguanamine SCHEMBL917182 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPOLB

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-0470050-B1 Process for the preparation of 2-amino-4-alkoxy-s-triazines CIBA GEIGY AG (CH) 1995-11-02 EP disclosed
EP-0470050-A1 Process for the preparation of 2-amino-4-alkoxy-s-triazines CIBA-GEIGY AG (CH) 1992-02-05 EP disclosed
US-5075443-A Preparation of 2-amino-4-alkoxy-s-triazines CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed