SCHEMBL8533530

SCHEMBL8533530

COc1ccc(-c2ccc3c(c2)CN(c2nc(C(C(c4nc5c(c(N6CCOc7ccc(-c8ccc(OC)c(S(C)(=O)=O)c8)cc7C6)n4)CC(C)(C)CC5)N(C)C)N(C)C)nc4c2CC(C)(C)CC4)CCO3)cc1OC(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.31
PRKDC P78527 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
SCHEMBL8533533 0.90 PIK3CA (0.31) PIK3CAPRKDC
SCHEMBL3765105 0.82 GPR142 (0.33) PIK3CAPRKDC
SCHEMBL3757596 0.82 PIK3CA (0.32) PIK3CA
SCHEMBL6118766 0.76 CXCR3 (0.32)
SCHEMBL855869 0.76 PIK3CD (0.35)
SCHEMBL16476907 0.74 PTGER2 (0.32)
SCHEMBL3764524 0.72 CXCR3 (0.32)
SCHEMBL855968 0.71 GPR142 (0.33)
SCHEMBL858896 0.71 GSK3B (0.36)
SCHEMBL3757514 0.71 CXCR3 (0.33)

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
EP-2643315-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP claimed
WO-2012071501-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO claimed