SCHEMBL22061535

SCHEMBL22061535

O=C1NC2(CCC2)Nc2cc(Nc3ncnc4[nH]ccc34)cc(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
TTBK1 Q5TCY1 11/20 0.46
TTBK2 Q6IQ55 10/20 0.46
MKNK1 Q9BUB5 6/20 0.45
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
BRAF P15056 1/20 0.40
TNNI3K Q59H18 1/20 0.40

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
Hydrochloric Acid SCHEMBL30662619 0.99 EGFR (0.46) EGFRTTBK1TTBK2MKNK1AURKA
SCHEMBL22060801 0.98 EGFR (0.47) EGFRTTBK1TTBK2MKNK1AURKA
SCHEMBL22061117 0.97 EGFR (0.46) EGFRTTBK1TTBK2MKNK1AURKA
Hydrochloric Acid SCHEMBL30662594 0.96 MKNK1 (0.45) EGFRTTBK1TTBK2MKNK1AURKA
SCHEMBL22061565 0.92 TTBK1 (0.45) EGFRTTBK1TTBK2MKNK1AURKA
SCHEMBL22061122 0.80 MKNK1 (0.54) EGFRTTBK1TTBK2MKNK1BRAF
Hydrochloric Acid SCHEMBL30662605 0.79 MKNK1 (0.53) EGFRTTBK1TTBK2MKNK1BRAF
SCHEMBL22061384 0.78 MKNK1 (0.54) EGFRTTBK1TTBK2MKNK1
Hydrochloric Acid SCHEMBL30662572 0.77 MKNK1 (0.53) EGFRTTBK1TTBK2MKNK1
SCHEMBL22061389 0.76 MKNK1 (0.43) EGFRTTBK1TTBK2MKNK1TNNI3K

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 2 patents. 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
US-9428750-B2 Oligomeric compounds comprising tricyclic nucleosides and methods for their use IONIS PHARMACEUTICALS, INC. (US) 2016-08-30 US disclosed