SCHEMBL21580667

SCHEMBL21580667

CC[C@@H](N)C(=O)Nc1cncc(Oc2ccc(C)c(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.48
GRM5 P41594 1/20 0.40

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
SCHEMBL31089796 1.00 AAK1 (0.48) AAK1GRM5
SCHEMBL17549697 0.87 AAK1 (0.48) AAK1
SCHEMBL1978742 0.84 AAK1 (0.48) AAK1
SCHEMBL20906310 0.84 AAK1 (0.48) AAK1
SCHEMBL1983127 0.84 AAK1 (0.48) AAK1
Hydrochloric Acid SCHEMBL21980915 0.84 AAK1 (0.47) AAK1
Hydrochloric Acid SCHEMBL13720612 0.84 AAK1 (0.47) AAK1
SCHEMBL21581606 0.83 DYRK1A (0.48) GRM5
SCHEMBL21581662 0.81 HDAC4 (0.41) AAK1GRM5
SCHEMBL31089865 0.81 HDAC4 (0.41) AAK1GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853216-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2021-07-28 EP disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 WO disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 WO disclosed