SCHEMBL21852129

SCHEMBL21852129

CSc1cc(N)ncc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.36
MTOR P42345 7/20 0.35
PIK3CA P42336 6/20 0.35
PTPN11 Q06124 3/20 0.35
EGFR P00533 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL16712832 0.76 CA2 (0.45) PIK3CDCA2CHKANOS3NOS2
SCHEMBL24858337 0.75 NOS3 (0.56) PIK3CDCA2CHKANOS3NOS2
SCHEMBL29851068 0.75 NOS3 (0.56) PIK3CDCA2CHKANOS3NOS2
SCHEMBL20096576 0.74 CA12 (0.38) CA2HSD17B10PTPN1
SCHEMBL84522 0.73 PIK3CD (0.40) PIK3CDCA2CHKAALOX5APFEN1
SCHEMBL20772336 0.72 PIK3CD (0.42) PIK3CDCA2CHKAALOX5APFEN1
SCHEMBL20772327 0.71 PIK3CD (0.41) PIK3CDCA2CHKAALOX5APFEN1
SCHEMBL22557297 0.71 PIK3CD (0.49) PIK3CDCA2CHKANOS3NOS2
SCHEMBL17658887 0.71 NOS3 (0.40) CA2ALOX5APFEN1NOS3NOS2
SCHEMBL1440021 0.71 PIK3CD (0.41) PIK3CDCA2CHKAALOX5APFEN1

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-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed