SCHEMBL28243138

SCHEMBL28243138

CC1C=Nc2ccc(Nc3ccncn3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 10/20 0.54
▸ MKNK2 Q9HBH9 2/20 0.46
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ MPL P40238 5/20 0.33
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ TAOK1 Q7L7X3 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ MAPKAPK2 P49137 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
SCHEMBL18797824 0.72 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2MPL
SCHEMBL18786784 0.72 MKNK1 (0.69) MKNK1MKNK2MPL
SCHEMBL18786622 0.70 MKNK1 (0.59) MKNK1MKNK2
SCHEMBL18786706 0.70 MKNK1 (1.00) MKNK1MKNK2
SCHEMBL20863344 0.67 ALDH1A1 (0.33) —
SCHEMBL22238836 0.67 PDE3B (0.41) —
SCHEMBL18815025 0.67 MKNK1 (0.54) MKNK1MKNK2EGFRERBB2
SCHEMBL18797844 0.67 MKNK1 (0.59) MKNK1MKNK2EGFRERBB2GSK3A
SCHEMBL18814767 0.67 MKNK1 (0.53) MKNK1MKNK2EGFRERBB2
SCHEMBL18815026 0.66 MKNK1 (0.56) MKNK1MKNK2EGFRERBB2MPL

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
Send feedback