SCHEMBL14644960

SCHEMBL14644960

COc1ccc(-c2cc[nH]c2)c2onc(NCC(C)(C)c3ccccc3)c12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.58
KDR P35968 3/20 0.32
BRD4 O60885 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CSF1R P07333 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
FLT1 P17948 1/20 0.30
FLT3 P36888 1/20 0.30
TEK Q02763 1/20 0.30

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
SCHEMBL1480214 0.86 KCNA5 (0.58) KCNA5ROCK2ROCK1
SCHEMBL1477870 0.83 KCNA5 (0.72) KCNA5KDRCSF1RPDGFRBKIT
SCHEMBL14644964 0.83 KCNA5 (0.58) KCNA5KDR
SCHEMBL14644961 0.80 KCNA5 (0.68) KCNA5
SCHEMBL1478379 0.79 KCNA5 (0.67) KCNA5
SCHEMBL1480523 0.79 KCNA5 (0.67) KCNA5
SCHEMBL1478669 0.79 KCNA5 (0.67) KCNA5
SCHEMBL14644969 0.79 KCNA5 (0.63) KCNA5
SCHEMBL1478403 0.77 KCNA5 (0.63) KCNA5
SCHEMBL1478452 0.75 KCNA5 (0.64) KCNA5KDRROCK2ROCK1CSF1R

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-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed