SCHEMBL28515973

SCHEMBL28515973

CCOC(=O)CN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(Cl)cc(F)cc4Cl)s3)nc(C)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.63
HDAC3 O15379 4/20 0.63
HDAC4 P56524 4/20 0.63
HDAC7 Q8WUI4 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC10 Q969S8 4/20 0.63
HDAC11 Q96DB2 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC9 Q9UKV0 4/20 0.63
HDAC5 Q9UQL6 4/20 0.63
SIK2 Q9H0K1 11/20 0.62
SIK3 Q9Y2K2 11/20 0.62
ABL1 P00519 12/20 0.62
SRC P12931 6/20 0.62
SIK1 P57059 9/20 0.62
BCR P11274 3/20 0.61
PKMYT1 Q99640 3/20 0.61
EPHB6 O15197 2/20 0.61
EGFR P00533 2/20 0.61

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
SCHEMBL28523154 0.96 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28519140 0.94 SIK2 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28534533 0.92 ABL1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1147166 0.88 HDAC3 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28528544 0.88 SIK2 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29729006 0.84 SIK2 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28519609 0.84 SIK2 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13637397 0.84 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28519616 0.82 SIK2 (0.75) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22452260 0.81 HDAC3 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727981-B Kinase inhibitor, preparation, pharmaceutical composition and application thereof 湖南华纳大药厂股份有限公司 2023-01-20 CN disclosed
CN-113727981-A Kinase inhibitor, preparation, pharmaceutical composition and application thereof 湖南华纳大药厂股份有限公司 2021-11-30 CN disclosed
CN-112409349-A Kinase inhibitor, preparation, pharmaceutical composition and application thereof 湖南华纳大药厂股份有限公司 2021-02-26 CN disclosed