SCHEMBL4065218

SCHEMBL4065218

CCc1nc2c(CC(C)C)nc3cc(O)ccc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA2A P29274 3/20 0.36
TLR7 Q9NYK1 1/20 0.35
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 4/20 0.31
ESR2 Q92731 4/20 0.31
TACR3 P29371 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
ADORA2B P29275 1/20 0.30
ESRRB O95718 1/20 0.30
ESRRA P11474 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4068203 0.85 KDM4E (0.36) TLR7KDM4EUSP2HPGDHSD17B10
SCHEMBL6737901 0.70 ELANE (0.40) TLR7KDM4E
SCHEMBL5510125 0.66 ELANE (0.39) KDM4EMAPT
SCHEMBL6221678 0.65 DPP4 (0.40) KDM4EHPGDPDE3BPDE3A
SCHEMBL8565234 0.65 TNKS2 (0.46) ADORA1ADORA3ADORA2ATLR7KDM4E
SCHEMBL4063897 0.64 ALOX5 (0.34) ADORA1ADORA3ADORA2AKDM4EHPGD
SCHEMBL20970190 0.64 RAD52 (0.43) TLR7KDM4EMAPT
SCHEMBL19513287 0.64 PTGES (0.44) ADORA1ADORA3ADORA2ATLR7
SCHEMBL4586845 0.64 TLR8 (0.36) ADORA1ADORA3ADORA2ATLR7ADORA2B
SCHEMBL8852871 0.62 DYRK1A (0.52) KDM4EHPGDHSD17B10PDE3BPDE3A

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-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed