SCHEMBL26237796

SCHEMBL26237796

CCOC(=O)OCC1CCC(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.35
▸ DOT1L Q8TEK3 3/20 0.35
▸ POLRMT O00411 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ HSP90B1 P14625 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CDK2 P24941 1/20 0.30

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
SCHEMBL26239647 0.90 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24606280 0.89 DOT1L (0.35) CSNK2A2CSNK2A1DOT1LPOLRMT
SCHEMBL26239615 0.89 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24606310 0.89 DOT1L (0.36) CSNK2A2CSNK2A1DOT1LPOLRMT
SCHEMBL24606316 0.87 DOT1L (0.34) CSNK2A2CSNK2A1DOT1LPOLRMT
SCHEMBL24606262 0.87 DOT1L (0.36) CSNK2A2CSNK2A1DOT1LPOLRMT
SCHEMBL26027103 0.87 DOT1L (0.36) CSNK2A2CSNK2A1DOT1LPOLRMT
SCHEMBL24606327 0.86 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26320701 0.85 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL24606256 0.85 DOT1L (0.34) DOT1LPOLRMT

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-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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