SCHEMBL29135090

SCHEMBL29135090

Clc1ccc(-c2ncn(C3CCCCC3)c2-c2cc[nH]c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
CSNK1D P48730 2/20 0.44
EGFR P00533 1/20 0.44
CSNK1E P49674 1/20 0.44
KCNH2 Q12809 1/20 0.44
BRD4 O60885 2/20 0.43
TGFBR1 P36897 5/20 0.41
CNR1 P21554 4/20 0.41
TGFBR2 P37173 2/20 0.37
RIPK2 O43353 1/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL28483827 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28480588 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28489703 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28483830 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28485168 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL29135103 0.86 PDE7A (0.38) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28484107 0.85 OPRL1 (0.40) CNR1
SCHEMBL28479514 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL28479501 0.80 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL29135094 0.79 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11CSNK1D

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-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed