SCHEMBL3798626

SCHEMBL3798626

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3C5CCC3CC5)CCO4)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.67
▸ CREBBP Q92793 3/20 0.46

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
SCHEMBL3789162 0.97 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL7860453 0.94 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3789421 0.94 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3793151 0.94 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL7881738 0.93 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL3792896 0.92 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL7878456 0.92 PIK3CA (0.58) PIK3CACREBBP
SCHEMBL14960385 0.91 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL7865168 0.91 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL3790868 0.90 PIK3CA (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138490-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 — — WO disclosed
WO-2010138490-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 — — WO disclosed
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