SCHEMBL30011988

SCHEMBL30011988

CCCn1c(=O)[nH]c2nc(OCC)ncc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 12/20 0.45
▸ ADORA2A P29274 9/20 0.45
▸ PDE4A P27815 7/20 0.45
▸ PDE4B Q07343 7/20 0.45
▸ PDE4C Q08493 7/20 0.45
▸ PDE4D Q08499 7/20 0.45
▸ ADORA3 P0DMS8 6/20 0.45
▸ ADORA1 P30542 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL34462332 0.77 TLR7 (0.36) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL34462323 0.74 ADORA3 (0.43) ADORA2BADORA3BLM
SCHEMBL30110608 0.74 ADORA2A (0.49) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL20157445 0.69 PDE3B (0.45) ADORA2BADORA2AHPGDPDE3AGRIN1
SCHEMBL30323763 0.67 TYRO3 (0.53) PDE3A
SCHEMBL29837916 0.66 HTR1A (0.44) PDE3AMAPT
SCHEMBL30141680 0.66 MAT2A (0.37) HPGDPDE3AHSD17B10GLAMAPT
SCHEMBL23632980 0.66 DYRK1A (0.35) PDE3AHSD17B10MAPT
SCHEMBL29838035 0.66 DYRK1A (0.35) PDE3AHSD17B10MAPT
SCHEMBL11227373 0.64 GRIN1 (0.57) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 — — EP disclosed
Send feedback