SCHEMBL28321329

SCHEMBL28321329

CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)O)c3[nH]ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.48
▸ JAK2 O60674 5/20 0.48
▸ JAK1 P23458 5/20 0.48
▸ TYK2 P29597 4/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ HPGDS O60760 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE4B Q07343 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 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
SCHEMBL16382749 0.92 BTK (0.48) BTKJAK2JAK1TYK2JAK3
SCHEMBL16336702 0.90 JAK1 (0.49) BTKJAK2JAK1TYK2JAK3
SCHEMBL28055972 0.87 JAK2 (0.49) BTKJAK2JAK1TYK2JAK3
SCHEMBL16336487 0.86 BTK (0.67) BTKJAK2JAK1
SCHEMBL19019034 0.79 JAK1 (0.52) BTKJAK2JAK1TYK2JAK3
SCHEMBL4939245 0.78 GPR119 (0.52) JAK2JAK1HPGDSMEN1KMT2A
SCHEMBL31210541 0.77 GOT1 (0.47) BTKJAK2JAK1TYK2JAK3
SCHEMBL6606633 0.76 GPR119 (0.53) HPGDSMEN1KMT2AHPGDHSD17B10
SCHEMBL25104515 0.75 HPGD (0.46) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL14143336 0.75 JAK1 (0.57) JAK2JAK1TYK2JAK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 — — CN disclosed
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