SCHEMBL856549

SCHEMBL856549

CC[C@H]1CCc2c(nc(C)nc2N2CCOc3ccc(-c4cnc5nc(N(C)C(=O)O)[nH]c5c4)cc3C2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.33
CREBBP Q92793 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
SCHEMBL856798 0.92 PIK3CA (0.34) PIK3CA
SCHEMBL3723449 0.89 PIK3CA (0.34) PIK3CACREBBP
SCHEMBL857157 0.88 PIK3CA (0.35) PIK3CA
SCHEMBL3762685 0.86 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL13057045 0.85 PIK3CA (0.33) PIK3CACREBBP
SCHEMBL3763768 0.85 PIK3CA (0.34) PIK3CA
SCHEMBL857661 0.83 PIK3CA (0.35) PIK3CA
SCHEMBL859660 0.82 PIK3CA (0.33) PIK3CA
SCHEMBL7863705 0.81 PRMT5 (0.32) PIK3CA
SCHEMBL3717364 0.81 PIK3CA (0.34) 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-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed