SCHEMBL288707

SCHEMBL288707

Cc1cnc(-c2ccc(-c3cc4ccccc4s3)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
APP P05067 2/20 0.40
KDM1A O60341 1/20 0.39
FYN P06241 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DCK P27707 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL25165413 0.84 SRC (0.37) ADORA2AADORA1
SCHEMBL5148513 0.79 APP (0.57) CYP19A1APPHSD17B1HSD17B2CA1
SCHEMBL27651550 0.79 APP (0.57) CYP19A1APPHSD17B1HSD17B2CA1
SCHEMBL20175446 0.79 NOS1 (0.44) ADORA2AADORA1
SCHEMBL27631108 0.78 CYP19A1 (0.48) CYP19A1APPKDM1AFYNPIK3CD
SCHEMBL290424 0.77 CDC7 (0.52) STK17BSTK17ATNIKHIPK4
SCHEMBL289445 0.77 CYP19A1 (0.48) CYP19A1APPHSD17B1HSD17B2CA1
SCHEMBL26500221 0.76 APP (0.45) CYP19A1APPKDM1AHSD17B1HSD17B2
SCHEMBL290274 0.74 RAB9A (0.59) CYP19A1APP
SCHEMBL25165765 0.74 CYP19A1 (0.44) CYP19A1APPKDM1AFYNPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed