SCHEMBL20745929

SCHEMBL20745929

CC1CC(F)CN1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42

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
SCHEMBL20745730 1.00 MAPT (0.64) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17069523 0.84 MAPT (0.70) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17069524 0.84 MAPT (0.70) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17426063 0.84 MAPT (0.70) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17426061 0.84 MAPT (0.70) MAPTPDK1PDK2PDK3PDK4
SCHEMBL27979641 0.83 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6741206 0.83 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL4048121 0.83 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6742274 0.81 MAPT (0.66) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6742277 0.81 MAPT (0.66) MAPTPDK1PDK2PDK3PDK4

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-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 EP disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed