SCHEMBL16655705

SCHEMBL16655705

Nc1ncnc2c1c(-c1ccc(F)cc1O)nn2C1CCCc2cc(C3CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.50
BTK Q06187 7/20 0.50
ABL1 P00519 11/20 0.49
EGFR P00533 11/20 0.49
HCK P08631 11/20 0.49
SRC P12931 11/20 0.49
KDR P35968 11/20 0.49
PIK3CA P42336 11/20 0.49
PIK3CB P42338 11/20 0.49
MTOR P42345 11/20 0.49
PIK3CG P48736 11/20 0.49
PRKDC P78527 11/20 0.49
EPHB4 P54760 10/20 0.49
PI4KB Q9UBF8 6/20 0.49
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
SCHEMBL16656035 0.93 PIK3CD (0.50) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908588 0.85 PIK3CD (0.70) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655410 0.85 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655681 0.84 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655641 0.82 PIK3CD (0.52) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908590 0.80 PIK3CD (0.74) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655760 0.79 PIK3CD (0.46) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908631 0.79 PIK3CD (0.70) PIK3CDBTKABL1EGFRHCK
SCHEMBL23908586 0.76 PIK3CD (0.74) PIK3CDBTKABL1EGFRHCK
SCHEMBL16655676 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