SCHEMBL14953442

SCHEMBL14953442

CN(C(=O)O)c1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3C5CCC3CC(O)(C(F)(F)F)C5)CCO4)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.49
▸ CREBBP Q92793 1/20 0.37
▸ MTOR P42345 1/20 0.37

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
SCHEMBL14953458 0.88 PIK3CA (0.51) PIK3CACREBBPMTOR
SCHEMBL3790868 0.88 PIK3CA (0.63) PIK3CACREBBPMTOR
SCHEMBL14953478 0.88 PIK3CA (0.46) PIK3CACREBBP
SCHEMBL12979899 0.85 PIK3CA (0.50) PIK3CACREBBPMTOR
SCHEMBL14953448 0.84 PIK3CA (0.49) PIK3CACREBBP
SCHEMBL7878884 0.84 PIK3CA (0.48) PIK3CACREBBP
SCHEMBL14953323 0.82 PIK3CA (0.48) PIK3CACREBBP
SCHEMBL14953384 0.81 PIK3CA (0.48) PIK3CACREBBP
SCHEMBL14953398 0.81 PIK3CA (0.48) PIK3CACREBBP
SCHEMBL14953408 0.81 PIK3CA (0.48) PIK3CACREBBP

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-2435426-B1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2013-05-22 — — EP claimed
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