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SCHEMBL4776342

SCHEMBL4776342

CCOc1nc(N)nc2ncc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(OC)c(F)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.42
▸ PPARD Q03181 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ DHFR P00374 3/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL3756936 0.84 NOS1 (0.55) NOS1DHFRMEN1NPC1ALDH1A1
SCHEMBL3755468 0.82 NOS1 (0.51) NOS1NPC1
SCHEMBL3752767 0.80 NOS1 (0.40) NOS1DHFR
SCHEMBL3763805 0.80 NOS1 (0.47) NOS1
SCHEMBL4454283 0.76 NOS1 (0.67) NOS1ALDH1A1
SCHEMBL3755631 0.75 ATR (0.46) NOS1
SCHEMBL3759542 0.75 PIK3CG (0.46) NOS1IDO1DHFR
SCHEMBL3757239 0.75 NOS1 (0.46) NOS1ALDH1A1
SCHEMBL3769694 0.74 NOS1 (0.67) NOS1DHFRNPC1ALDH1A1
SCHEMBL3762199 0.73 NOS1 (0.57) NOS1MEN1ALDH1A1KMT2A

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