SCHEMBL30406140

SCHEMBL30406140

Cc1nc2[nH]ncc2c(I)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.37
▸ HTR2A P28223 4/20 0.36
▸ PLK4 O00444 3/20 0.33
▸ PAK4 O96013 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ SGK1 O00141 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL24348566 1.00 HTR2C (0.37) HTR2CHTR2APLK4PAK4SMN1; SMN2
SCHEMBL24348512 0.81 HTR2C (0.39) HTR2CHTR2APLK4PAK4SMN1; SMN2
SCHEMBL24348564 0.79 PLK4 (0.39) HTR2CHTR2APLK4PAK4SMN1; SMN2
SCHEMBL24349703 0.79 ACHE (0.44) HTR2CHTR2APLK4PAK4SMN1; SMN2
SCHEMBL26719826 0.76 HTR2C (0.35) HTR2CHTR2APLK4PAK4SMN1; SMN2
SCHEMBL29478852 0.68 PDPK1 (0.43) SMN1; SMN2ALDH1A1PDPK1CHEK1AURKA
SCHEMBL2675945 0.68 PDPK1 (0.43) SMN1; SMN2ALDH1A1PDPK1CHEK1AURKA
SCHEMBL24348563 0.68 ALDH1A1 (0.39) HTR2CPLK4PAK4SMN1; SMN2ALDH1A1
SCHEMBL23858513 0.68 CCNT1 (0.42) SMN1; SMN2ALDH1A1PDPK1HTTCHEK1
SCHEMBL2638970 0.67 FGFR1 (0.35) HTR2CHTR2APLK4PAK4SGK1

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
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