Sugi Predict

Sugi Predict / Compounds / SCHEMBL4841936

SCHEMBL4841936

SCHEMBL4841936

CC(C)(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.CC(C)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1.Nc1nc(N2CCOCC2)c2nc(-c3cc(F)c(F)c(F)c3)cnc2n1.Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CC(=O)N4)cnc2n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.37
▸ GRIA1 P42261 13/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CACNG2 Q9Y698 1/20 0.33
▸ MTOR P42345 2/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL3755254 0.82 NOS1 (0.54) NOS1MTORSCN9AJAK2
SCHEMBL3755252 0.82 NOS1 (0.54) NOS1MTORSCN9AJAK2
SCHEMBL3762310 0.75 NOS1 (0.56) NOS1MTORJAK2
SCHEMBL3762311 0.75 NOS1 (0.56) NOS1MTORJAK2
SCHEMBL3761842 0.73 NOS1 (0.61) NOS1GRIA1CYP2C9CACNG2
SCHEMBL3765184 0.73 NOS1 (0.64) NOS1MTORJAK2
SCHEMBL3764319 0.73 NOS1 (0.64) NOS1MTOR
SCHEMBL3760610 0.70 NOS1 (0.61) NOS1MTORJAK2
SCHEMBL3760595 0.70 NOS1 (0.61) NOS1MTORJAK2
SCHEMBL3765421 0.68 NOS1 (0.63) NOS1MTORJAK2

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 claimed