SCHEMBL17580381

SCHEMBL17580381

COc1cnccc1-c1ccc(NC=O)c(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.41
▸ PAX8 Q06710 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ IRAK1 P51617 1/20 0.37

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
SCHEMBL15283553 0.83 CIT (0.44) AAK1ABL1HTTMKNK1MKNK2
SCHEMBL15283326 0.78 AAK1 (0.47) AAK1ABL1MKNK1MKNK2IRAK4
SCHEMBL15283552 0.75 CTSB (0.44) AAK1ABL1
SCHEMBL25043755 0.75 PTGS1 (0.43) HTTSLC22A12
SCHEMBL17580433 0.73 HTT (0.47) HTT
SCHEMBL15507823 0.71 TTK (0.55) MKNK1MKNK2CDK2DYRK1AERN1
SCHEMBL17580555 0.70 SYK (0.38) MKNK1MKNK2
SCHEMBL15507908 0.70 LRRK2 (0.52) PAX8GAKHTTMKNK1MKNK2
SCHEMBL17313489 0.69 BRD4 (0.45) AAK1ABL1MKNK1MKNK2MAP4K4
SCHEMBL17580583 0.69 DRD2 (0.40) GAKHTTERN1

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-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 — — EP disclosed
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