SCHEMBL16655825

SCHEMBL16655825

COc1ncc(-c2nn(C3CCCc4ccccc43)c3ncnc(N)c23)cc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.64
BTK Q06187 12/20 0.64
ATR Q13535 6/20 0.55
EGFR P00533 2/20 0.51
ABL1 P00519 1/20 0.47
HCK P08631 1/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
EPHB4 P54760 1/20 0.47
PRKDC P78527 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
SCHEMBL16665688 1.00 PIK3CD (0.64) PIK3CDBTKATREGFRABL1
SCHEMBL16655254 0.95 PIK3CD (0.71) PIK3CDBTKATREGFRABL1
SCHEMBL16656013 0.86 PIK3CD (0.69) PIK3CDBTKATR
SCHEMBL16655293 0.85 PIK3CD (0.72) PIK3CDBTKATR
SCHEMBL16654231 0.83 PIK3CD (0.67) PIK3CDBTKATREGFRABL1
SCHEMBL16655721 0.82 PIK3CD (0.76) PIK3CDBTKATREGFRABL1
SCHEMBL16655461 0.81 BTK (0.59) PIK3CDBTKEGFR
SCHEMBL16655397 0.81 PIK3CD (0.73) PIK3CDBTKATREGFRABL1
SCHEMBL16665679 0.81 PIK3CD (0.73) PIK3CDBTKATREGFRABL1
SCHEMBL16655943 0.80 PIK3CD (0.70) PIK3CDBTKATREGFRABL1

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