SCHEMBL19228201

SCHEMBL19228201

CC(C)CNC(C)(C)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL24843107 0.78 ADH1B (0.32) CYP2D6CYP2C19
SCHEMBL25955452 0.74
SCHEMBL21025625 0.72
SCHEMBL270919 0.71
SCHEMBL2014765 0.69 ALDH1A1 (0.30)
SCHEMBL7117040 0.68 PKM (0.33) CYP2D6CYP2C19
SCHEMBL16689785 0.67
SCHEMBL3156858 0.67 PIK3CD (0.33) CYP2D6CYP2C19
SCHEMBL3698430 0.67
SCHEMBL20115351 0.67

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-2755958-B9 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
EP-2755958-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-09 EP disclosed