SCHEMBL16655643

SCHEMBL16655643

Nc1ncnc2c1c(-c1ccc(O)cc1F)nn2C1CCCc2c(F)cccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.51
BTK Q06187 13/20 0.51
ABL1 P00519 5/20 0.50
EGFR P00533 5/20 0.50
HCK P08631 5/20 0.50
SRC P12931 5/20 0.50
KDR P35968 5/20 0.50
PIK3CA P42336 5/20 0.50
PIK3CB P42338 5/20 0.50
MTOR P42345 5/20 0.50
PIK3CG P48736 5/20 0.50
EPHB4 P54760 5/20 0.50
PRKDC P78527 5/20 0.50
PI4KB Q9UBF8 3/20 0.50
ATR Q13535 1/20 0.47

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
SCHEMBL16655641 0.89 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908606 0.85 PIK3CD (0.72) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655410 0.81 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908592 0.79 PIK3CD (0.71) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655761 0.78 PIK3CD (0.46) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908599 0.78 PIK3CD (0.72) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908587 0.77 PIK3CD (0.71) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655681 0.77 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL22754113 0.75 PIK3CD (0.62) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908586 0.74 PIK3CD (0.74) PIK3CDBTKABL1EGFRHCK

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