SCHEMBL19101901

SCHEMBL19101901

Nc1ncnn2c([C@@H]3OC(CO)[C@@H](O)[C@H]3F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.40
▸ HIF1A Q16665 2/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DOT1L Q8TEK3 3/20 0.37
▸ GAPDH P04406 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC28A1 O00337 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ SLC28A2 O43868 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ PI4KA P42356 1/20 0.37

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
SCHEMBL806951 1.00 POLRMT (0.40) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL16479516 1.00 POLRMT (0.40) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL18481207 0.92 POLRMT (0.39) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL10154369 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL19101808 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL24982409 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL16710417 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL25008855 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL24982322 0.89 HIF1A (0.46) POLRMTHIF1AADORA3ADORA2AADORA1
SCHEMBL10101549 0.87 POLRMT (0.36) POLRMTHIF1ADOT1LGAPDHHSD17B10

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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