SCHEMBL8012385

SCHEMBL8012385

Cc1nc(-c2ccccc2)cc(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
ADORA2A P29274 3/20 0.54
ADORA1 P30542 3/20 0.54
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL27430768 0.80 ACHE (0.58) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL6618672 0.76 ALDH1A1 (0.55) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL3121916 0.73 ADORA1 (0.53) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL20125567 0.72 SQOR (0.62) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL13299548 0.72 ALDH1A1 (0.69) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL27489654 0.72 NPC1 (0.50) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL6813816 0.71 ADORA2A (0.73) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL2873300 0.71 ACHE (1.00) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL8265150 0.71 ADORA2A (0.66) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL14927901 0.71 ADORA2A (0.55) ACHEADORA2AADORA1MEN1KMT2A

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
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed