SCHEMBL9762812

SCHEMBL9762812

CCCCCc1c(N)nc(N=Nc2ncccn2)nc1N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.43
CYP2D6 P10635 1/20 0.39
TLR7 Q9NYK1 6/20 0.38
NOS2 P35228 1/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KCNH2 Q12809 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL2496375 0.82 TLR8 (0.43) TLR8TLR7DHFR
SCHEMBL4800682 0.75 L3MBTL1 (0.47)
SCHEMBL609344 0.74 KCNH2 (0.51) TLR7KCNH2
SCHEMBL11258351 0.72 TLR8 (0.34) TLR8TLR7
SCHEMBL468531 0.71 CYP2D6 (0.53) TLR8CYP2D6TLR7KCNH2DHFR
SCHEMBL609343 0.68 LMNA (0.36) TLR8CYP2D6KCNH2
SCHEMBL609342 0.68 LMNA (0.36) TLR8CYP2D6KCNH2
SCHEMBL29262764 0.67 CYP2D6 (0.52) TLR8CYP2D6TLR7NOS2DHFR
SCHEMBL750976 0.66 TLR8 (0.49) TLR8TLR7NOS2KCNH2
SCHEMBL9488515 0.66 NOS2 (0.58) TLR8TLR7NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997939-A Reduction, cyclization KOHJIN CO., LTD. (JP) 1991-03-05 US claimed
US-4861883-A REACTING ARYLAZONONITRILE WITH FORMIC ACID IN PRESENCE OF AMMONIA, CYCLIZATION, REMOVAL AMMONIA, THEN CATALYTIC REDUCTION KOHJIN CO., LTD. (JP) 1989-08-29 US claimed
EP-0118597-B1 PROCESS FOR PREPARING ADENINE Kohjin Co., Ltd. (JP) 1987-04-08 EP claimed
EP-0045503-B1 PROCESS FOR PREPARING ADENINE Kohjin Co., Ltd. (JP) 1984-11-14 EP claimed
EP-0118597-A2 Process for preparing adenine Kohjin Co., Ltd. (JP) 1984-09-19 EP claimed
EP-0045503-A1 Process for preparing adenine Kohjin Co., Ltd. (JP) 1982-02-10 EP claimed
JP-57067580-A None JP disclosed
US-4997939-A Reduction, cyclization KOHJIN CO., LTD. (JP) 1991-03-05 US disclosed
US-4861883-A REACTING ARYLAZONONITRILE WITH FORMIC ACID IN PRESENCE OF AMMONIA, CYCLIZATION, REMOVAL AMMONIA, THEN CATALYTIC REDUCTION KOHJIN CO., LTD. (JP) 1989-08-29 US disclosed
EP-0118597-B1 PROCESS FOR PREPARING ADENINE Kohjin Co., Ltd. (JP) 1987-04-08 EP disclosed
EP-0052959-B1 PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR Takeda Chemical Industries, Ltd. (JP) 1986-01-29 EP disclosed
EP-0045503-B1 PROCESS FOR PREPARING ADENINE Kohjin Co., Ltd. (JP) 1984-11-14 EP disclosed
EP-0118597-A2 Process for preparing adenine Kohjin Co., Ltd. (JP) 1984-09-19 EP disclosed
US-4401814-A Adenine preparation ETHYL CORPORATION (US) 1983-08-30 US disclosed
US-4391977-A HYDROGEN CYANIDE AND FORMAMIDE ETHYL CORPORATION (US) 1983-07-05 US disclosed
JP-S5767580-A PREPARATION OF ADENINE KOHJIN CO LTD 1982-04-24 JP disclosed
EP-0045503-A1 Process for preparing adenine Kohjin Co., Ltd. (JP) 1982-02-10 EP disclosed
US-4092314-A FROM ARYLAZOMALONONITRILE AND FORMAMIDE AND AMMONIA, AMMONIUM SALT MERCK & CO., INC. (US) 1978-05-30 US disclosed
US-4092314-A FROM ARYLAZOMALONONITRILE AND FORMAMIDE AND AMMONIA, AMMONIUM SALT MERCK & CO., INC. (US) 1978-05-30 US disclosed
US-4092314-A FROM ARYLAZOMALONONITRILE AND FORMAMIDE AND AMMONIA, AMMONIUM SALT MERCK & CO., INC. (US) 1978-05-30 US disclosed