SCHEMBL19101798

SCHEMBL19101798

C[C@]12O[C@@H](c3ccc4c(N)ncnn34)[C@H](F)[C@@]1(O)[C@@H]2O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.40
▸ MAP4K4 O95819 1/20 0.34
▸ DOT1L Q8TEK3 2/20 0.33
▸ STING1 Q86WV6 1/20 0.31
▸ TNK2 Q07912 4/20 0.31
▸ TNIK Q9UKE5 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
SCHEMBL19779071 1.00 POLRMT (0.40) POLRMTMAP4K4DOT1LSTING1TNK2
SCHEMBL24942302 0.86 POLRMT (0.39) POLRMTMAP4K4DOT1LTNIK
SCHEMBL19101755 0.84 POLRMT (0.38) POLRMTMAP4K4
SCHEMBL19779074 0.84 POLRMT (0.38) POLRMTMAP4K4
SCHEMBL20960069 0.81 — —
SCHEMBL26229927 0.79 POLRMT (0.41) POLRMTMAP4K4DOT1LSTING1TNK2
SCHEMBL25776452 0.78 POLRMT (0.38) POLRMTMAP4K4DOT1L
SCHEMBL19227690 0.78 POLRMT (0.39) POLRMTMAP4K4DOT1LSTING1
SCHEMBL16699309 0.77 POLRMT (0.41) POLRMTMAP4K4DOT1LSTING1TNK2
SCHEMBL27438673 0.77 POLRMT (0.41) POLRMTMAP4K4DOT1LSTING1

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
US-9701682-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-07-11 — — US disclosed
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