SCHEMBL19124181

SCHEMBL19124181

Cc1ccc(NCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
PDK2 Q15119 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
POLB P06746 1/20 0.37
GBA1 P04062 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL17572258 0.87 FPR3 (0.43) FPR3FPR2AAK1PDK2TRPV4
SCHEMBL20884885 0.87 AAK1 (0.44) MAPTFPR3FPR2AAK1PDK2
SCHEMBL12311224 0.87 GBA1 (0.44) MAPTFPR3FPR2AAK1PDK2
SCHEMBL23099550 0.85 AAK1 (0.43) FPR3FPR2AAK1PDK2TRPV4
SCHEMBL23099545 0.84 FPR3 (0.41) MAPTFPR3FPR2AAK1PDK2
SCHEMBL20874117 0.83 MAPT (0.52) MAPTPOLBKMT2AMEN1HTT
SCHEMBL14679115 0.81 NPC1 (0.51) POLBLMNAKMT2AMEN1HTT
SCHEMBL1979475 0.80 MCHR1 (0.42) FPR3FPR2CA14LMNACYP1A2
SCHEMBL30264506 0.78 LTB4R (0.46) MAPTPDK2KCNH2HRH3RAB9A
SCHEMBL19112868 0.77 GAA (0.52) MAPTPOLBLMNAKMT2AHTT

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
EP-3190111-B1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2020-05-06 EP disclosed
EP-3190111-A1 PYRAZOLO[3,4-C]PYRIDINE DERIVATIVES CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-07-12 EP disclosed