SCHEMBL2946368

SCHEMBL2946368

Nc1nc(N)c2nc(-c3ccc(N4CCOCC4)cc3C(F)(F)F)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.40
PIK3CA P42336 6/20 0.39
MTOR P42345 4/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3C2B O00750 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DHFR P00374 2/20 0.38
PRKCA P17252 2/20 0.37
PRKCQ Q04759 2/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL2951931 0.84 PRKDC (0.42) PRKDCPIK3CAADORA2AADORA1DHFR
SCHEMBL2952943 0.82 MAP2K7 (0.45) PRKDCPIK3CA
SCHEMBL2946044 0.80 MAPT (0.43) PRKDCADORA2AADORA1DHFRCDK1
SCHEMBL2953053 0.75 ADK (0.42) PRKDCPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1893213 0.73 PARP1 (0.50) PIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2946373 0.71 DHFR (0.43) PRKDCPIK3CAMTORPIK3R1PIK3CD
SCHEMBL2946549 0.70 CDK1 (0.32) ADORA2AADORA1DHFRCDK1CDK2
SCHEMBL2946541 0.70 CDK1 (0.41) ADORA2AADORA1DHFRCDK1CDK2
SCHEMBL2955281 0.69 CAMKK2 (0.45) ADORA2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL2012672 0.69 LGMN (0.61) PRKDCPIK3CAMTORPIK3R1PIK3CD

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed