SCHEMBL28113504

SCHEMBL28113504

CC(C)(C)OC(=O)c1ccnn1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ HTT P42858 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ TP53 P04637 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
SCHEMBL28199249 0.82 F2 (0.55) F2PLAUKLKB1ELANEHTT
SCHEMBL30159053 0.81 SMN1; SMN2 (0.50) HTTKMT2ASMN1; SMN2HSD17B10MEN1
SCHEMBL28739878 0.78 ELANE (0.42) F2PLAUKLKB1ELANENR1H2
SCHEMBL27714104 0.78 F2 (0.40) F2PLAUKLKB1ELANEKMT2A
SCHEMBL13141164 0.73 FLT1 (0.37) KMT2ASMN1; SMN2MAPTCA12CA1
SCHEMBL3815163 0.73 F2 (0.39) F2PLAUKLKB1ELANEKMT2A
SCHEMBL29069810 0.72 L3MBTL1 (0.37) F2PLAUKLKB1ELANEHTT
SCHEMBL28308404 0.71 — —
SCHEMBL27988980 0.71 — —
SCHEMBL24967306 0.70 BRD4 (0.40) KMT2AMAPTLMNAALDH1A1CYP2C19

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-106170489-B New Pyrazolopyrimidine derivative and its purposes as MALT1 inhibitor 诺华股份有限公司 2019-05-03 — — CN disclosed
CN-106170489-A New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof 诺华股份有限公司 2016-11-30 — — CN disclosed
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