SCHEMBL28223352

SCHEMBL28223352

Cc1cc(Nc2ccncn2)cc(C)c1CCC#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.46
▸ KDR P35968 1/20 0.40
▸ MKNK2 Q9HBH9 3/20 0.38
▸ HTT P42858 2/20 0.36
▸ MPL P40238 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL7043888 0.70 MKNK1 (0.48) MKNK1KDRMKNK2MPLGSK3A
SCHEMBL147860 0.68 MKNK1 (0.44) MKNK1KDRMKNK2MPLGSK3A
SCHEMBL14843891 0.67 MKNK1 (0.49) MKNK1KDRMKNK2MPLGSK3A
SCHEMBL4400350 0.66 EGFR (0.54) MKNK1MKNK2HTTSMN1; SMN2EGFR
SCHEMBL30199845 0.66 EGFR (0.54) MKNK1MKNK2HTTSMN1; SMN2EGFR
SCHEMBL4630887 0.66 GSK3A (0.53) MKNK1KDRMKNK2HTTGSK3A
SCHEMBL28618764 0.66 ABCG2 (0.54) MKNK1KDREGFR
SCHEMBL31235691 0.66 ABCG2 (0.54) MKNK1KDREGFR
SCHEMBL18786607 0.66 MKNK1 (0.56) MKNK1KDRMKNK2MPL
SCHEMBL29941689 0.65 LCK (0.49) MKNK1KDRMKNK2MPLGSK3A

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-108210469-A Freeze-dried drug nano suspension 詹森药业有限公司 2018-06-29 — — CN disclosed
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