SCHEMBL721816

SCHEMBL721816

COc1ccc(OC)c(-c2cc3nccc(-c4cnn(C)c4)c3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.45
TTK P33981 3/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
KCNH2 Q12809 1/20 0.42
GRM4 Q14833 1/20 0.42
MET P08581 3/20 0.42
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL725506 0.87 KCNH2 (0.43) TTKCCNA2CDK2KCNH2GRM4
SCHEMBL723012 0.83 ALDH1A1 (0.46)
SCHEMBL722228 0.83 PDE4C (0.43) TTKCCNA2CDK2MET
SCHEMBL10268949 0.82 AURKB (0.46) LRRK2METCCNCCDK8
SCHEMBL721977 0.80 KDR (0.38) LRRK2TTKCCNA2CDK2KCNH2
SCHEMBL721802 0.80 FYN (0.51) TTKCCNA2CDK2
SCHEMBL724888 0.80 ACVR2A (0.48)
SCHEMBL722933 0.79 MET (0.39) TTKCCNA2CDK2MET
SCHEMBL725076 0.77 ABL1 (0.45) TTKCCNCCDK8
SCHEMBL724789 0.77 MET (0.40) LRRK2TTKKCNH2METCCNC

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 9 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
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US 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