SCHEMBL22061389

SCHEMBL22061389

CC12CCCN1c1cc(Nc3ncnc4[nH]ccc34)cc(Cl)c1C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.43
EGFR P00533 1/20 0.42
TTBK1 Q5TCY1 7/20 0.42
TTBK2 Q6IQ55 7/20 0.42
JAK3 P52333 3/20 0.39
TNNI3K Q59H18 1/20 0.39

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
SCHEMBL22061125 0.97 MKNK1 (0.45) MKNK1EGFRTTBK1TTBK2TNNI3K
SCHEMBL22061534 0.95 EGFR (0.44) MKNK1EGFRTTBK1TTBK2TNNI3K
SCHEMBL22061384 0.83 MKNK1 (0.54) MKNK1EGFRTTBK1TTBK2
SCHEMBL22061122 0.83 MKNK1 (0.54) MKNK1EGFRTTBK1TTBK2TNNI3K
Hydrochloric Acid SCHEMBL30662572 0.82 MKNK1 (0.53) MKNK1EGFRTTBK1TTBK2
Hydrochloric Acid SCHEMBL30662605 0.82 MKNK1 (0.53) MKNK1EGFRTTBK1TTBK2TNNI3K
SCHEMBL22060801 0.76 EGFR (0.47) MKNK1EGFRTTBK1TTBK2TNNI3K
SCHEMBL22061535 0.76 EGFR (0.47) MKNK1EGFRTTBK1TTBK2TNNI3K
SCHEMBL22061117 0.75 EGFR (0.46) MKNK1EGFRTTBK1TTBK2TNNI3K
Hydrochloric Acid SCHEMBL30662619 0.75 EGFR (0.46) MKNK1EGFRTTBK1TTBK2TNNI3K

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-2020108619-A1 MNK INHIBITOR 上海迪诺医药科技有限公司 2020-06-04 WO disclosed