SCHEMBL3455046

SCHEMBL3455046

COC[C@H](C)Oc1ccc(-c2ccc(-c3nccs3)[nH]2)c(Oc2ccc(C(=O)N3CCC3)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.43
KCNH2 Q12809 4/20 0.43
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL424089 0.89 GCK (0.47) GCKKCNH2ABL1BCR
SCHEMBL15016330 0.89 GCK (0.47) GCKKCNH2ABL1BCR
SCHEMBL425302 0.87 GCK (0.45) GCKKCNH2ABL1BCR
SCHEMBL420638 0.82 GCK (0.42) GCKKCNH2ABL1BCR
SCHEMBL423799 0.81 GCK (0.48) GCKKCNH2ABL1BCR
SCHEMBL424190 0.80 GCK (0.42) GCKKCNH2ABL1BCR
SCHEMBL15016319 0.80 GCK (0.47) GCKKCNH2ABL1BCR
SCHEMBL422961 0.80 GCK (0.47) GCKKCNH2ABL1BCR
SCHEMBL424513 0.77 GCK (0.60) GCKKCNH2
SCHEMBL426227 0.77 GCK (0.47) GCKKCNH2

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-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed