SCHEMBL28243161

SCHEMBL28243161

C1=NCCc2cc(Nc3ccncn3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.55
▸ MKNK2 Q9HBH9 2/20 0.43
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ 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
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDR P35968 2/20 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
SCHEMBL18797824 0.75 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL30564289 0.74 ALDH1A1 (0.42) ADRA2AADRA2BADRA2C
SCHEMBL18797820 0.74 MKNK1 (0.49) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL18797826 0.73 MKNK1 (0.55) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL27490021 0.71 GRIN2D (0.36) EGFRADRA2AADRA2BADRA2C
SCHEMBL18815026 0.71 MKNK1 (0.56) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL18786817 0.71 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL14843891 0.70 MKNK1 (0.49) MKNK1MKNK2GSK3ACDK9CDK5
SCHEMBL18786911 0.69 MKNK1 (0.57) MKNK1MKNK2EGFRERBB2JAK2
SCHEMBL18815025 0.69 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2JAK2

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-108602805-A Isoindoline, azaisoindoline, indenone and the dihydro azepine indone inhibitor of MNK1 and MNK2 效应治疗股份有限公司 2018-09-28 — — CN disclosed
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