SCHEMBL16655678

SCHEMBL16655678

COc1ccc(-c2nn(C3CCc4ccccc4C3)c3ncnc(N)c23)cc1F

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.74
BTK Q06187 7/20 0.74
ATR Q13535 7/20 0.67
ABL1 P00519 5/20 0.62
EGFR P00533 5/20 0.62
HCK P08631 5/20 0.62
SRC P12931 5/20 0.62
KDR P35968 5/20 0.62
PIK3CA P42336 5/20 0.62
PIK3CB P42338 5/20 0.62
MTOR P42345 5/20 0.62
PIK3CG P48736 5/20 0.62
EPHB4 P54760 5/20 0.62
PRKDC P78527 5/20 0.62
PI4KB Q9UBF8 5/20 0.62

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
SCHEMBL16665677 1.00 PIK3CD (0.74) PIK3CDBTKATRABL1EGFR
SCHEMBL16655587 0.93 PIK3CD (0.77) PIK3CDBTKATRABL1EGFR
SCHEMBL16655570 0.92 PIK3CD (0.75) PIK3CDBTKATRABL1EGFR
SCHEMBL16656046 0.89 PIK3CD (0.90) PIK3CDBTKATRABL1EGFR
SCHEMBL16655601 0.88 PIK3CD (0.76) PIK3CDBTKATRABL1EGFR
SCHEMBL16655781 0.88 PIK3CD (0.69) PIK3CDBTKATRABL1EGFR
SCHEMBL16655293 0.88 PIK3CD (0.72) PIK3CDBTKATR
SCHEMBL16665706 0.88 PIK3CD (0.69) PIK3CDBTKATRABL1EGFR
SCHEMBL16655718 0.88 PIK3CD (0.69) PIK3CDBTKATRABL1EGFR
SCHEMBL16655539 0.88 PIK3CD (0.77) PIK3CDBTKATRABL1EGFR

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 4 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
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed