SCHEMBL16655652

SCHEMBL16655652

Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1Cc2ccccc2N(C(=O)C=CN2CCCC2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.66
BTK Q06187 12/20 0.66
EGFR P00533 5/20 0.56
PIK3CG P48736 2/20 0.56
ABL1 P00519 1/20 0.56
HCK P08631 1/20 0.56
SRC P12931 1/20 0.56
KDR P35968 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
MTOR P42345 1/20 0.56
EPHB4 P54760 1/20 0.56
PRKDC P78527 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
ATR Q13535 1/20 0.46

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
SCHEMBL16655649 1.00 PIK3CD (0.66) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655748 0.94 PIK3CD (0.63) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655751 0.94 PIK3CD (0.63) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655706 0.90 PIK3CD (0.70) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655635 0.89 PIK3CD (0.65) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655639 0.89 PIK3CD (0.65) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655974 0.88 PIK3CD (0.67) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL23917465 0.87 PIK3CD (0.73) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655773 0.87 PIK3CD (0.70) PIK3CDBTKEGFRPIK3CGABL1
SCHEMBL16655733 0.85 PIK3CD (0.70) PIK3CDBTKEGFRPIK3CGABL1

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