SCHEMBL14304541

SCHEMBL14304541

Cc1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.65
NUDT1 P36639 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PIK3CA P42336 8/20 0.45
MTOR P42345 5/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CG P48736 2/20 0.43
PIK3CB P42338 1/20 0.42
RPTOR Q8N122 1/20 0.42
MLST8 Q9BVC4 1/20 0.42
PRKDC P78527 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3R1 P27986 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3766389 0.84 NOS1 (0.64) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL14302977 0.84 NOS1 (0.64) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3755512 0.81 NOS1 (0.67) NOS1NUDT1CRHBPCRHR2PIK3CA
SCHEMBL3768171 0.81 NOS1 (0.67) NOS1NUDT1CRHBPCRHR2PIK3CA
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1NUDT1CRHBPCRHR2PIK3CA
SCHEMBL3763715 0.81 NOS1 (0.78) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3765089 0.81 NOS1 (0.59) NOS1NUDT1CRHBPCRHR2PIK3CA
SCHEMBL3755666 0.81 NOS1 (0.69) NOS1NUDT1CRHBPCRHR2PIK3CA
SCHEMBL3759363 0.81 NOS1 (0.72) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3759341 0.81 NOS1 (0.65) NOS1NUDT1CRHBPCRHR2PIK3CA

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-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed