SCHEMBL19720586

SCHEMBL19720586

Cc1cccc(N)c1N(N)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.43
▸ GPR119 Q8TDV5 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BACE1 P56817 2/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CTSD P07339 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
SCHEMBL19720587 0.85 NR1D1 (0.42) USP30GPR119JAK2JAK1KMT2A
SCHEMBL19720631 0.81 PDE4B (0.46) USP30GPR119JAK2JAK1MEN1
SCHEMBL29480855 0.78 USP30 (0.50) USP30ALDH1A1
SCHEMBL16895681 0.78 USP30 (0.50) USP30ALDH1A1
SCHEMBL16895680 0.78 USP30 (0.50) USP30ALDH1A1
SCHEMBL19720772 0.77 STS (0.43) USP30GPR119JAK2JAK1MEN1
SCHEMBL19720770 0.77 NR1D1 (0.45) USP30MEN1KMT2AALDH1A1MAPT
SCHEMBL19720786 0.76 OPRK1 (0.39) USP30BACE1HDAC1HDAC2CTSD
SCHEMBL19720594 0.73 LMNA (0.40) USP30GPR119MEN1KMT2AALDH1A1
SCHEMBL19720566 0.72 USP30 (0.35) USP30GPR119JAK2JAK1MEN1

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
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
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