SCHEMBL28896473

SCHEMBL28896473

COc1cnc(COC(N)=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ PARP4 Q9UKK3 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ F2 P00734 1/20 0.33

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
SCHEMBL28340802 0.78 LMNA (0.39) LMNACYP1A2KDM4ESMN1; SMN2PARP10
SCHEMBL28846986 0.78 CYP1A2 (0.39) LMNACYP1A2SIRT6ALOX15NQO1
SCHEMBL28446989 0.78 LMNA (0.39) LMNACYP1A2SMN1; SMN2PARP10AOC3
SCHEMBL28523610 0.76 LMNA (0.38) LMNACYP1A2SMN1; SMN2PARP10ALOX15
SCHEMBL14639041 0.75 NQO1 (0.39) LMNACYP1A2KDM4ESMN1; SMN2PARP10
SCHEMBL28846885 0.74 LMNA (0.40) LMNAKDM4EPARP1PARP10PARP2
SCHEMBL24786403 0.72 PTGS1 (0.43) LMNAKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9852789 0.72 PARP10 (0.39) LMNAKDM4ECA1CA2PARP1
SCHEMBL28697197 0.71 DGAT1 (0.43) LMNACA1CA2F2
SCHEMBL14820284 0.71 PARP1 (0.47) KDM4ECA1CA2PARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111556871-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2023-07-07 — — CN disclosed
CN-111465410-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-25 — — CN disclosed
CN-111526890-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-14 — — CN disclosed
CN-109311872-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2021-08-20 — — CN disclosed
CN-111556871-A 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-18 — — CN disclosed
CN-111526890-A Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2020-08-11 — — CN disclosed
CN-111465410-A Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2020-07-28 — — CN disclosed
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