SCHEMBL21975693

SCHEMBL21975693

CNc1nc(-c2cccnc2)nc(Oc2cc(C(=O)N3CCOCC3)ccc2C)c1C=N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.42
MAP3K9 P80192 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
TTK P33981 1/20 0.41
MAPT P10636 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
SCHEMBL21975115 0.86 POLB (0.48)
SCHEMBL21975688 0.80 ABL1 (0.45) TTKMAPT
SCHEMBL21975119 0.80 RET (0.39) MAPT
SCHEMBL21943605 0.79 BTK (0.47) LRRK2HTTMAPT
SCHEMBL21975103 0.79 CYP1A2 (0.41) HTTTTKMAPT
SCHEMBL21974992 0.77 KDR (0.49) TTK
SCHEMBL21975658 0.75 KDR (0.57) TTKMAPT
SCHEMBL14727503 0.73 MAPT (0.55) LRRK2JAK2HTTMKNK2MAPT
SCHEMBL14727501 0.72 MAPT (0.51) JAK2HTTMAPT
SCHEMBL21942936 0.70 RET (0.47) HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 EP disclosed