SCHEMBL29756271

SCHEMBL29756271

COC(=O)c1ncccc1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
ATR Q13535 1/20 0.44
MAP2K1 Q02750 1/20 0.43
LMNA P02545 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
METAP1 P53582 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL28036275 1.00 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EALDH1A1ATR
SCHEMBL11931402 0.94 L3MBTL1 (0.49) L3MBTL1TDP1KDM4EALDH1A1ATR
SCHEMBL30441012 0.92 KDM4E (0.46) L3MBTL1TDP1KDM4EALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28013995 0.90 KDM4E (0.44) L3MBTL1TDP1KDM4EALDH1A1LMNA
Tert-Butanol SCHEMBL25377982 0.89 KDM4E (0.43) L3MBTL1TDP1KDM4EALDH1A1LMNA
SCHEMBL29416324 0.87 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL69990 0.87 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL16515769 0.86 KDM4E (0.61) L3MBTL1TDP1KDM4EALDH1A1LMNA
SCHEMBL30665208 0.84 ALDH1A1 (0.42) L3MBTL1KDM4EALDH1A1ALOX15CYP3A4
SCHEMBL30665207 0.84 ALDH1A1 (0.42) L3MBTL1KDM4EALDH1A1ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739697-B Dimethylaminoazetidine amides as JAK inhibitors 施万生物制药研发IP有限责任公司 2023-10-20 CN disclosed
CN-112703037-B 5-to 7-membered heterocyclic amides as JAK inhibitors 施万生物制药研发IP有限责任公司 2023-10-20 CN disclosed
CN-115190878-A Crystalline hydrates of JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2022-10-14 CN disclosed
CN-110461839-B JAK inhibitors containing 4-membered heterocyclic amides 施万生物制药研发IP有限责任公司 2022-08-23 CN disclosed
CN-110382498-B Fused imidazole-piperidine JAK inhibitors 施万生物制药研发IP有限责任公司 2022-07-12 CN disclosed