SCHEMBL22061565

SCHEMBL22061565

O=C1NC2(CCOCC2)Nc2cc(Nc3ncnc4[nH]ccc34)cc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 13/20 0.45
TTBK2 Q6IQ55 12/20 0.45
EGFR P00533 2/20 0.44
MKNK1 Q9BUB5 4/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
BRAF P15056 1/20 0.38
TNNI3K Q59H18 1/20 0.38

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
SCHEMBL22061535 0.92 EGFR (0.47) TTBK1TTBK2EGFRMKNK1AURKA
SCHEMBL22060801 0.92 EGFR (0.47) TTBK1TTBK2EGFRMKNK1AURKA
Hydrochloric Acid SCHEMBL30662619 0.91 EGFR (0.46) TTBK1TTBK2EGFRMKNK1AURKA
SCHEMBL22061117 0.91 EGFR (0.46) TTBK1TTBK2EGFRMKNK1AURKA
Hydrochloric Acid SCHEMBL30662594 0.90 MKNK1 (0.45) TTBK1TTBK2EGFRMKNK1AURKA
SCHEMBL22061122 0.74 MKNK1 (0.54) TTBK1TTBK2EGFRMKNK1BRAF
SCHEMBL22061384 0.74 MKNK1 (0.54) TTBK1TTBK2EGFRMKNK1
SCHEMBL22061534 0.73 EGFR (0.44) TTBK1TTBK2EGFRMKNK1BRAF
Hydrochloric Acid SCHEMBL30662605 0.73 MKNK1 (0.53) TTBK1TTBK2EGFRMKNK1BRAF
Hydrochloric Acid SCHEMBL30662572 0.73 MKNK1 (0.53) TTBK1TTBK2EGFRMKNK1

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