SCHEMBL13593261

SCHEMBL13593261

CCOCCN(C)CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)nn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 12/20 0.36
EP300 Q09472 1/20 0.33
PIK3CA P42336 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NAMPT P43490 1/20 0.31
FABP7 O15540 1/20 0.31

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
SCHEMBL13593400 0.92 KCNN4 (0.34) KCNN4EP300PIK3CAMAPK1HDAC1
SCHEMBL984712 0.89 PIK3CA (0.36) KCNN4PIK3CAMAPK1HDAC1HDAC6
SCHEMBL987742 0.86 KCNN4 (0.37) KCNN4EP300MAPK1HDAC6NAMPT
SCHEMBL986709 0.83 PIK3CA (0.40) PIK3CA
SCHEMBL986957 0.83 KCNN4 (0.37) KCNN4MAPK1
SCHEMBL985226 0.82 KCNN4 (0.36) KCNN4MAPK1
SCHEMBL986318 0.81 KCNN4 (0.37) KCNN4MAPK1
SCHEMBL984501 0.81 KCNN4 (0.38) KCNN4MAPK1
SCHEMBL985298 0.81 PIK3CA (0.38) KCNN4PIK3CA
SCHEMBL985410 0.80 PIK3CA (0.39) KCNN4PIK3CA

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-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed