SCHEMBL16665709

SCHEMBL16665709

C=C1/C=C\C=C/CCC(n2c(F)c(-c3cc(O)c(F)c(F)c3)c3c(N)ncnc32)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.43
BTK Q06187 2/20 0.43
ABL1 P00519 15/20 0.36
EGFR P00533 15/20 0.36
HCK P08631 15/20 0.36
SRC P12931 15/20 0.36
KDR P35968 15/20 0.36
PIK3CA P42336 15/20 0.36
PIK3CB P42338 15/20 0.36
MTOR P42345 15/20 0.36
PIK3CG P48736 15/20 0.36
PRKDC P78527 15/20 0.36
EPHB4 P54760 14/20 0.36
PI4KB Q9UBF8 11/20 0.36
RIPK2 O43353 1/20 0.35

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
SCHEMBL16665708 0.90 PIK3CD (0.41) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655408 0.77 PIK3CD (0.67) PIK3CDBTKABL1EGFRHCK
SCHEMBL16665722 0.69 SRC (0.34) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655470 0.69 PIK3CD (0.66) PIK3CDBTKABL1EGFRHCK
SCHEMBL16665849 0.68 PIK3CD (0.53) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655320 0.67 PIK3CD (0.61) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655964 0.67 PIK3CD (0.61) PIK3CDBTKABL1EGFRHCK
SCHEMBL16665745 0.67 PIK3CD (0.51) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655584 0.64 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL16665776 0.64 BTK (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed