SCHEMBL29050010

SCHEMBL29050010

Fc1ccc(-c2cc3n(n2)CCOC3)nc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.50
KCNH2 Q12809 1/20 0.47
CSNK1D P48730 2/20 0.44
MAPK14 Q16539 1/20 0.43
LRRK2 Q5S007 1/20 0.38
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL29514224 1.00 GRM5 (0.50) GRM5KCNH2CSNK1DMAPK14LRRK2
SCHEMBL2523630 0.81 TSHR (0.47) CSNK1D
SCHEMBL29050018 0.78 GRM5 (0.53) GRM5KCNH2
SCHEMBL29831821 0.78 GRM5 (0.53) GRM5KCNH2
SCHEMBL29514273 0.77 GRM5 (0.42) GRM5KCNH2CSNK1DMAPK14
SCHEMBL26720074 0.77 GRM5 (0.42) GRM5KCNH2CSNK1DMAPK14
SCHEMBL30605079 0.77 GRM5 (0.52) GRM5KCNH2
SCHEMBL29514325 0.77 GRM5 (0.43) GRM5KCNH2CSNK1DMAPK14
SCHEMBL30605084 0.76 CSNK1D (0.48) GRM5KCNH2CSNK1DMAPK14
SCHEMBL18198216 0.75 GRM5 (0.50) GRM5KCNH2

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
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed