SCHEMBL10154352

SCHEMBL10154352

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.39
▸ DOT1L Q8TEK3 5/20 0.37
▸ MAP4K4 O95819 1/20 0.35
▸ STING1 Q86WV6 1/20 0.34
▸ ACVRL1 P37023 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ TNK2 Q07912 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL14642742 1.00 POLRMT (0.39) POLRMTDOT1LMAP4K4STING1ACVRL1
SCHEMBL21120506 1.00 POLRMT (0.39) POLRMTDOT1LMAP4K4STING1ACVRL1
SCHEMBL13532219 0.87 DOT1L (0.37) POLRMTDOT1LMAP4K4STING1ACVRL1
SCHEMBL13696066 0.87 DOT1L (0.37) POLRMTDOT1LMAP4K4STING1ACVRL1
SCHEMBL20058766 0.87 DOT1L (0.37) POLRMTDOT1LMAP4K4STING1ACVRL1
SCHEMBL23960108 0.83 POLRMT (0.47) POLRMT
SCHEMBL24123639 0.82 DOT1L (0.36) POLRMTDOT1LSTING1RIPK1
SCHEMBL18520016 0.82 STING1 (0.35) DOT1LSTING1ACVRL1ADORA3ADORA2A
SCHEMBL23960103 0.81 DOT1L (0.38) POLRMTDOT1LSTING1RIPK1
SCHEMBL14642598 0.81 ADRB1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505173-B1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2022-07-06 — — EP disclosed
WO-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 — — WO disclosed
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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