SCHEMBL722330

SCHEMBL722330

COc1cc(-c2cc3nccc(-c4cn[nH]c4)c3o2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.48
BRD4 O60885 5/20 0.46
PDE4C Q08493 3/20 0.45
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40

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
SCHEMBL723093 0.88 PDE4C (0.55) BRD4PDE4CCCNB2CDK1CCNB1
SCHEMBL725083 0.87 RPS6KA2 (0.41) RPS6KA2BRD4PDE4CCCNB2CDK1
SCHEMBL15212549 0.84 KDR (0.47) BRD4PDE4CCCNB2CDK1CCNB1
SCHEMBL722839 0.83 PDE4C (0.51) BRD4PDE4CTUBB4ATUBBTUBA3C
SCHEMBL725426 0.83 MAOB (0.52) BRD4PDE4CCYP1A1CYP1B1JAK2
SCHEMBL16638610 0.82 PDE4C (0.47) BRD4PDE4CCCNB2CDK1CCNB1
SCHEMBL722596 0.82 PDE4C (0.50) BRD4PDE4CCCNB2CDK1CCNB1
SCHEMBL724918 0.82 PDE4C (0.41) BRD4PDE4CCCNB2CDK1CCNB1
SCHEMBL725087 0.82 FYN (0.53) BRD4PDE4CTUBB4ATUBBTUBA3C
SCHEMBL15210592 0.82 PDE4C (0.45) BRD4PDE4CCYP1A1CYP1B1CYP1A2

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