SCHEMBL16655641

SCHEMBL16655641

Nc1ncnc2c1c(-c1ccc(F)cc1O)nn2C1CCCc2c(F)cccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.52
ABL1 P00519 7/20 0.52
EGFR P00533 7/20 0.52
HCK P08631 7/20 0.52
SRC P12931 7/20 0.52
KDR P35968 7/20 0.52
PIK3CA P42336 7/20 0.52
PIK3CB P42338 7/20 0.52
MTOR P42345 7/20 0.52
PIK3CG P48736 7/20 0.52
PRKDC P78527 7/20 0.52
EPHB4 P54760 6/20 0.52
PI4KB Q9UBF8 5/20 0.52
BTK Q06187 11/20 0.51
ATR Q13535 1/20 0.49

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
SCHEMBL16655410 0.92 PIK3CD (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL16655643 0.89 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL16655681 0.88 PIK3CD (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL23908606 0.85 PIK3CD (0.72) PIK3CDABL1EGFRHCKSRC
SCHEMBL16655705 0.82 PIK3CD (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL16656035 0.81 PIK3CD (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL23908599 0.80 PIK3CD (0.72) PIK3CDABL1EGFRHCKSRC
SCHEMBL23908592 0.79 PIK3CD (0.71) PIK3CDABL1EGFRHCKSRC
SCHEMBL23908587 0.77 PIK3CD (0.71) PIK3CDABL1EGFRHCKSRC
SCHEMBL16655760 0.77 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC

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-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed