SCHEMBL881453

SCHEMBL881453

C[C@@]1(F)C[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ RIPK1 Q13546 3/20 0.33
▸ DOT1L Q8TEK3 3/20 0.33
▸ ACVRL1 P37023 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ PTGS2 P35354 1/20 0.30
▸ STING1 Q86WV6 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL13667820 0.88 POLRMT (0.36) POLRMTRIPK1DOT1LACVRL1TNK2
SCHEMBL881726 0.84 ADORA2A (0.31) ACVRL1STING1
SCHEMBL24791271 0.81 NPC1 (0.37) POLRMTRIPK1DOT1LTNK2STING1
SCHEMBL10187239 0.80 POLRMT (0.51) POLRMT
SCHEMBL18697877 0.79 ADORA2A (0.38) POLRMTDOT1L
SCHEMBL881487 0.79 ADORA2A (0.38) POLRMTDOT1L
SCHEMBL10101470 0.78 POLRMT (0.34) POLRMTDOT1LACVRL1MAP4K4
SCHEMBL10101469 0.76 POLRMT (0.34) POLRMTDOT1LACVRL1MAP4K4
SCHEMBL18480780 0.76 POLRMT (0.36) POLRMTDOT1LACVRL1MAP4K4
SCHEMBL18470925 0.76 POLRMT (0.36) POLRMTDOT1LACVRL1MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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