SCHEMBL18863084

SCHEMBL18863084

CCOC(=O)N1CC[C@@H](O[C@@H](C)c2c(C(=O)OC(C)(C)C)cnc3cc(Cl)nn23)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIK3CD O00329 5/20 0.36
▸ HPGD P15428 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NR3C1 P04150 1/20 0.33

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
SCHEMBL18839685 0.93 MALT1 (0.40) MALT1PIK3CDGPR119NR3C1
SCHEMBL22408834 0.93 MALT1 (0.40) MALT1PIK3CDGPR119NR3C1
SCHEMBL18839687 0.93 MALT1 (0.40) MALT1PIK3CDGPR119NR3C1
SCHEMBL18863083 0.92 MALT1 (0.41) MALT1
SCHEMBL18839669 0.90 MALT1 (0.40) MALT1
SCHEMBL22408835 0.90 MALT1 (0.40) MALT1
SCHEMBL18839670 0.90 MALT1 (0.40) MALT1
SCHEMBL22408849 0.80 MALT1 (0.39) MALT1
SCHEMBL18839535 0.80 MALT1 (0.39) MALT1
SCHEMBL18839537 0.80 MALT1 (0.39) MALT1

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
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 — — WO disclosed
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