SCHEMBL10183162

SCHEMBL10183162

C=C/C=C(\C(=C)Cl)c1oc(-c2cc(NC(C)=O)ncc2C)nc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.33
ABL1 P00519 1/20 0.31
PTK2 Q05397 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
SCHEMBL626595 0.72 PIK3C3 (0.42) PIK3C3ABL1PTK2
SCHEMBL626666 0.70 KDM4E (0.39) PIK3C3ABL1PTK2
SCHEMBL626417 0.68 PIK3C3 (0.39) PIK3C3ABL1PTK2
SCHEMBL626235 0.67 ABL1 (0.37) PIK3C3ABL1PTK2
SCHEMBL627354 0.65 PIK3C3 (0.43) PIK3C3ABL1PTK2
SCHEMBL10182598 0.64 PIK3C3 (0.38) PIK3C3ABL1PTK2
SCHEMBL626945 0.64 PIK3C3 (0.45) PIK3C3ABL1PTK2
SCHEMBL626066 0.64 PIK3C3 (0.45) PIK3C3ABL1PTK2
SCHEMBL9109069 0.64 PIK3C3 (0.41) PIK3C3ABL1PTK2
SCHEMBL627473 0.64 PIK3C3 (0.39) PIK3C3ABL1PTK2

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
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed