SCHEMBL24348512

SCHEMBL24348512

Cc1nc2[nH]ncc2c(C)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.39
▸ HTR2A P28223 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLK4 O00444 4/20 0.35
▸ PAK4 O96013 4/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL30406140 0.81 HTR2C (0.37) HTR2CHTR2ASMN1; SMN2ALDH1A1PLK4
SCHEMBL24349703 0.81 ACHE (0.44) HTR2CHTR2ASMN1; SMN2ALDH1A1PLK4
SCHEMBL24348566 0.81 HTR2C (0.37) HTR2CHTR2ASMN1; SMN2ALDH1A1PLK4
SCHEMBL26719826 0.79 HTR2C (0.35) HTR2CHTR2ASMN1; SMN2ALDH1A1PLK4
SCHEMBL2638970 0.70 FGFR1 (0.35) HTR2CHTR2APLK4PAK4POLB
SCHEMBL4187380 0.70 SGK1 (0.37) HTR2CHTR2APLK4PAK4POLB
SCHEMBL7888421 0.69 CHEK1 (0.40) HTR2CSMN1; SMN2ALDH1A1PLK4PAK4
SCHEMBL24995103 0.68 IDO1 (0.47) —
SCHEMBL19230708 0.68 TGFBR1 (0.35) HTR2CSMN1; SMN2ALDH1A1PLK4CHEK1
SCHEMBL24348564 0.67 PLK4 (0.39) HTR2CHTR2ASMN1; SMN2ALDH1A1PLK4

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
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 — — WO disclosed
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