SCHEMBL16705392

SCHEMBL16705392

Fc1ccc2c(I)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.49
GAK O14976 1/20 0.42
GRM4 Q14833 1/20 0.41
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
NSD3 Q9BZ95 3/20 0.36
C1R P00736 1/20 0.35
NSD2 O96028 1/20 0.35
MYC P01106 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
SCHEMBL16705385 0.84 CDK8 (0.49) FERMT2GAKCCNCCDK8ACVR1
SCHEMBL18544879 0.79 GAK (0.44) GAKCCNCCDK8NR4A2SOS2
Iodide SCHEMBL11565912 0.78 GAK (0.43) GAKCCNCCDK8NR4A2SOS2
SCHEMBL24338479 0.77 FERMT2 (0.50) FERMT2GAKGRM4CCNCCDK8
SCHEMBL30149344 0.77 FERMT2 (0.50) FERMT2GAKGRM4CCNCCDK8
SCHEMBL20427414 0.76 HTR1A (0.54) NSD3C1RNR4A2SOS2KDM4E
SCHEMBL365024 0.76 NR4A2 (0.61) FERMT2NR4A2SOS2KDM4E
SCHEMBL856135 0.76 FERMT2 (0.49) FERMT2GAKGRM4CCNCCDK8
SCHEMBL4619603 0.76 FERMT2 (0.49) FERMT2GAKGRM4CCNCCDK8
SCHEMBL16010398 0.76 FERMT2 (0.49) FERMT2GAKGRM4CCNCCDK8

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
EP-2549875-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed