SCHEMBL722271

SCHEMBL722271

COc1cc(-c2cc3nccc(-c4c(C)cccc4C)c3o2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.48
ADORA2A P29274 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
SYK P43405 1/20 0.42
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 1/20 0.40
CYP1A2 P05177 1/20 0.40
BRD4 O60885 2/20 0.39
FYN P06241 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL724908 0.91 PDE4C (0.53) PDE4CADORA2AADORA3SYKALOX5
SCHEMBL724141 0.88 PDE4C (0.48) PDE4CADORA2AADORA3SYKALOX5
SCHEMBL723093 0.86 PDE4C (0.55) PDE4CSYKALOX5PTGESCYP1A1
SCHEMBL722596 0.86 PDE4C (0.50) PDE4CADORA2AADORA3SYKALOX5
SCHEMBL721634 0.85 RPS6KA2 (0.55) PDE4CRPS6KA2
SCHEMBL16638609 0.85 PDE4C (0.50) PDE4CSYKALOX5PTGESRPS6KA2
SCHEMBL15210354 0.85 PDE4C (0.44) PDE4CSYKALOX5PTGESRPS6KA2
SCHEMBL10268220 0.84 RPS6KA2 (0.49) PDE4CADORA2AADORA3SYKALOX5
SCHEMBL722839 0.84 PDE4C (0.51) PDE4CSYKALOX5PTGESCYP1A1
SCHEMBL723002 0.84 PAX8 (0.44) PDE4CSYKCYP1A1CYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed