SCHEMBL17114380

SCHEMBL17114380

N#CC1(CO)O[C@@H](c2ccc3c(N)ncnn23)CC1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.36
▸ DOT1L Q8TEK3 5/20 0.35
▸ MAP4K4 O95819 1/20 0.32
▸ ACVRL1 P37023 2/20 0.31
▸ TMPRSS2 O15393 1/20 0.31
▸ PIK3CD O00329 2/20 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
SCHEMBL17106697 1.00 POLRMT (0.36) POLRMTDOT1LMAP4K4ACVRL1TMPRSS2
SCHEMBL17111232 1.00 POLRMT (0.36) POLRMTDOT1LMAP4K4ACVRL1TMPRSS2
SCHEMBL17130417 0.90 POLRMT (0.37) POLRMTDOT1L
SCHEMBL17106845 0.90 POLRMT (0.37) POLRMTDOT1L
SCHEMBL17106821 0.83 POLRMT (0.32) POLRMTDOT1L
SCHEMBL26270281 0.82 POLRMT (0.38) POLRMTDOT1LMAP4K4ACVRL1
SCHEMBL19412761 0.82 POLRMT (0.38) POLRMTDOT1LMAP4K4ACVRL1PIK3CD
SCHEMBL19412426 0.82 POLRMT (0.34) POLRMTDOT1L
SCHEMBL19768739 0.82 POLRMT (0.46) POLRMTDOT1LMAP4K4TMPRSS2PIK3CD
SCHEMBL19779087 0.82 POLRMT (0.46) POLRMTDOT1LMAP4K4TMPRSS2PIK3CD

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
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP claimed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO claimed
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