SCHEMBL28585097

SCHEMBL28585097

CC(C)(C)OC(=O)N1CCCCC1.NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.53
▸ POLB P06746 1/20 0.49
▸ CKS1B P61024 2/20 0.47
▸ SKP1 P63208 2/20 0.47
▸ SKP2 Q13309 2/20 0.47
▸ KDR P35968 1/20 0.47
▸ GRM5 P41594 1/20 0.47
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ DTYMK P23919 1/20 0.43
▸ PARP1 P09874 1/20 0.43

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
2-Aminopyridine SCHEMBL28443400 0.85 GPR119 (0.55) GPR119POLBCKS1BSKP1SKP2
SCHEMBL1088005 0.82 L3MBTL1 (0.69) GPR119POLBCKS1BSKP1SKP2
SCHEMBL29086062 0.80 GPR119 (0.53) GPR119POLBCKS1BSKP1SKP2
SCHEMBL28702489 0.80 MAPK1 (0.51) L3MBTL1KMT2A
SCHEMBL14122068 0.80 GPR119 (0.55) GPR119POLBCKS1BSKP1SKP2
SCHEMBL3324042 0.79 PLA2G1B (0.60) GPR119GRM5HPGDMEN1KMT2A
SCHEMBL3324037 0.79 PLA2G1B (0.60) GPR119GRM5HPGDMEN1KMT2A
SCHEMBL406827 0.78 GPR119 (0.62) GPR119POLBHPGDUSP30
SCHEMBL7720432 0.77 GPR119 (0.52) GPR119POLBCKS1BSKP1SKP2
SCHEMBL29461540 0.77 GPR119 (0.76) GPR119POLBCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 — — CN disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 — — CN disclosed
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