SCHEMBL24348557

SCHEMBL24348557

Cc1cc(I)c2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ NOS1 P29475 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 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
▸ HTR2A P28223 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ GAA P10253 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
SCHEMBL13153124 0.80 KMT2A (0.46) PLK4PAK4ALDH1A1SMN1; SMN2PDPK1
SCHEMBL30509508 0.77 ALDH1A1 (0.40) PLK4PAK4NOS1ALDH1A1SMN1; SMN2
SCHEMBL29442177 0.77 NOS1 (0.36) PLK4PAK4NOS1ALDH1A1SMN1; SMN2
SCHEMBL19966396 0.77 FGFR1 (0.39) PLK4PAK4ALDH1A1SMN1; SMN2PDPK1
SCHEMBL25322760 0.77 ALDH1A1 (0.40) PLK4PAK4NOS1ALDH1A1SMN1; SMN2
SCHEMBL22554143 0.77 PLK4 (0.41) PLK4PAK4NOS1SMN1; SMN2CHEK1
SCHEMBL23841035 0.77 NCF1 (0.43) PLK4PAK4ALDH1A1PDPK1CHEK1
SCHEMBL23780741 0.77 NOS1 (0.36) PLK4PAK4NOS1ALDH1A1SMN1; SMN2
SCHEMBL26661515 0.76 TRPA1 (0.39) PLK4PAK4ALDH1A1SMN1; SMN2PDPK1
SCHEMBL20656567 0.73 ALDH1A1 (0.39) PLK4PAK4ALDH1A1SMN1; SMN2PDPK1

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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