SCHEMBL28033932

SCHEMBL28033932

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.77
▸ INSR P06213 6/20 0.77
▸ IGF1R P08069 5/20 0.77
▸ EGFR P00533 5/20 0.77
▸ AURKA O14965 1/20 0.77
▸ ROS1 P08922 1/20 0.77
▸ EML4 Q9HC35 1/20 0.77
▸ ZAP70 P43403 1/20 0.65

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
SCHEMBL21846979 0.90 EGFR (0.78) ALKINSRIGF1REGFRAURKA
SCHEMBL21709647 0.88 ALK (0.87) ALKINSRIGF1REGFRAURKA
SCHEMBL26611528 0.88 EGFR (0.79) ALKINSRIGF1REGFRAURKA
SCHEMBL21846992 0.87 EGFR (1.00) ALKINSRIGF1REGFRAURKA
SCHEMBL29489146 0.87 ALK (1.00) ALKINSRIGF1REGFRAURKA
SCHEMBL11916416 0.87 ALK (1.00) ALKINSRIGF1REGFRAURKA
SCHEMBL29045219 0.87 ALK (0.75) ALKINSRIGF1REGFRAURKA
SCHEMBL21847003 0.86 ALK (0.74) ALKINSRIGF1REGFRAURKA
SCHEMBL22087542 0.86 EGFR (1.00) ALKINSRIGF1REGFRAURKA
SCHEMBL30377478 0.86 INSR (1.00) ALKINSRIGF1REGFRAURKA

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-105294759-A Preparation method of antitumor drug SOUTHEAST PHARMACEUTICALS CO LTD 2016-02-03 — — CN disclosed
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