SCHEMBL28085307

SCHEMBL28085307

Cc1cccnc1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
METAP1 P53582 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MYC P01106 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30441012 0.83 KDM4E (0.46) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL5376069 0.83 TLR7 (0.45) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL21358025 0.81 GABRA1 (0.42) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL30322596 0.81 L3MBTL1 (0.41) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL2414354 0.81 POLB (0.44) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL27593401 0.81 GRM4 (0.41) L3MBTL1METAP1ALDH1A1LMNAPOLB
Ammonia Solution, Strong SCHEMBL28013995 0.81 KDM4E (0.44) L3MBTL1METAP1ALDH1A1LMNAPOLB
SCHEMBL31347575 0.80 L3MBTL1 (0.62) L3MBTL1BRD4ALDH1A1POLBCYP1A2
SCHEMBL128711 0.80 L3MBTL1 (0.62) L3MBTL1BRD4ALDH1A1POLBCYP1A2
SCHEMBL28851020 0.80 L3MBTL1 (0.45) L3MBTL1BRD4ALDH1A1POLBCYP1A2

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
CN-111196803-A 5-fluoropyrimidine heterocyclic compound with Wnt signal channel inhibition activity and application thereof 苏州云轩医药科技有限公司 2020-05-26 CN disclosed
CN-106565673-B 5-fluoropyrimidine heterocyclic compound with Wnt signal channel inhibition activity and application thereof 苏州云轩医药科技有限公司 2019-12-06 CN disclosed
CN-106117193-A New Hete rocyclic derivatives and the application in nervous system disease is treated thereof 诺华股份有限公司 2016-11-16 CN disclosed
CN-103403001-B Heterocyclic derivatives and their use in the treatment of neurological disorders 诺瓦提斯公司 2016-08-17 CN disclosed