SCHEMBL72955

SCHEMBL72955

Nc1nccc(-c2cccc(-c3cnc4ccccn34)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.50
HSP90AA1 P07900 2/20 0.50
MIF P14174 1/20 0.50
MAP3K14 Q99558 1/20 0.50
CDK4 P11802 1/20 0.50
AURKA O14965 1/20 0.50
PRKACA P17612 1/20 0.50
ADORA2A P29274 1/20 0.50
DYRK1A Q13627 1/20 0.50
PKM P14618 1/20 0.49
FLT3 P36888 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSP90AB1 P08238 1/20 0.46
PTK2 Q05397 1/20 0.46
IGF1R P08069 2/20 0.45
IRAK4 Q9NWZ3 6/20 0.44
MAPK8 P45983 2/20 0.44
MAPK9 P45984 1/20 0.44
PIK3CA P42336 1/20 0.43

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
SCHEMBL4804170 0.85 DYRK1A (0.66) CDK2MAP3K14CDK4DYRK1APKM
SCHEMBL73445 0.78 MIF (0.60) CDK2MIFPRKACADYRK1APKM
SCHEMBL18606919 0.77 MIF (0.58) CDK2MIFDYRK1APKMFLT3
SCHEMBL25789350 0.76 MIF (0.57) MIFPRKACADYRK1APKMFLT3
SCHEMBL21208172 0.76 KIT (0.61) CDK2MIFPRKACADYRK1APKM
SCHEMBL25789356 0.75 MIF (0.56) MIFPRKACADYRK1APKMFLT3
SCHEMBL4202167 0.75 HSP90AA1 (0.76) CDK2HSP90AA1MAP3K14AURKAPRKACA
SCHEMBL2650330 0.73 FLT3 (0.74) MIFPRKACADYRK1APKMFLT3
SCHEMBL14138786 0.73 MIF (0.60) CDK2MIFCDK4PRKACADYRK1A
SCHEMBL29109646 0.73 FLT3 (0.69) MIFPRKACADYRK1APKMFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed