SCHEMBL725247

SCHEMBL725247

COc1cc(-c2cc3nccc(-c4cccc(N5CCNCC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 13/20 0.56
TGFBR1 P36897 13/20 0.56
HTR7 P34969 3/20 0.53
HTR1A P08908 2/20 0.49
BMPR1A P36894 2/20 0.46
ACVRL1 P37023 2/20 0.46
RIPK2 O43353 1/20 0.46
ACVR1B P36896 4/20 0.45
KCNH2 Q12809 2/20 0.45
BMPR1B O00238 1/20 0.45
ABL1 P00519 1/20 0.45
ADRA2A P08913 1/20 0.45
CNR1 P21554 1/20 0.45
DDR1 Q08345 1/20 0.45
PTK6 Q13882 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
NLK Q9UBE8 1/20 0.45
TNIK Q9UKE5 1/20 0.45

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
SCHEMBL722515 0.90 ACVR1 (0.47) ACVR1TGFBR1HTR7PDE4C
SCHEMBL15210578 0.82 NCF1 (0.55) ACVR1TGFBR1BMPR1AACVRL1RIPK2
SCHEMBL10267650 0.81 FYN (0.54) ABL1PDE4C
SCHEMBL30765219 0.80 CFTR (0.47) ACVR1TGFBR1BMPR1AACVRL1RIPK2
SCHEMBL16638609 0.80 PDE4C (0.50) PDE4C
SCHEMBL722839 0.80 PDE4C (0.51) PDE4C
SCHEMBL723093 0.79 PDE4C (0.55) PDE4C
SCHEMBL723597 0.79 FYN (0.54) ACVR1TGFBR1BMPR1AACVRL1ABL1
SCHEMBL722343 0.79 PDE4C (0.47) RIPK2NLKPDE4C
SCHEMBL722998 0.78 PDE4C (0.41) ACVR1TGFBR1PDE4C

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