SCHEMBL2568295

SCHEMBL2568295

O=[C]C1CN(c2ccc(Nc3ncc4c(n3)C3(CCOCC3)Oc3cccnc3-4)cc2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 2/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ALK Q9UM73 2/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ STAT6 P42226 2/20 0.34
▸ SLC2A1 P11166 2/20 0.34
▸ SYK P43405 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 2/20 0.33
▸ INSR P06213 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ PTK2B Q14289 1/20 0.33

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
SCHEMBL1115314 0.86 ALK (0.41) PKMYT1JAK2CDK1CDK4CCND1
SCHEMBL1115161 0.79 CDK4 (0.47) CDK1CDK4CCND1CDK2
SCHEMBL12162407 0.78 CCND3 (0.52) PKMYT1JAK2CDK1CDK4CCND1
SCHEMBL1644121 0.73 CDK4 (0.37) JAK2CDK1CDK4CCND1CDK2
SCHEMBL1115321 0.69 ALK (0.42) CDK1CDK4CCND1CDK2ALK
SCHEMBL1115440 0.68 CDK4 (0.48) CDK4CCND1CDK2MAPK8MAPK9
SCHEMBL1115132 0.68 STAT6 (0.44) JAK2CDK4CCND1ALKSTAT6
SCHEMBL1115284 0.67 CDK4 (0.49) CDK4CCND1CDK2STAT6
SCHEMBL1115360 0.65 PIK3CA (0.34) —
SCHEMBL1115182 0.65 CDK4 (0.48) CDK1CDK4CCND1CDK2ALK

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
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 — — EP disclosed
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