SCHEMBL20439555

SCHEMBL20439555

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ncnc3[nH]ccc23)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FLT3 P36888 1/20 0.42
SRC P12931 3/20 0.40
PTPN1 P18031 2/20 0.40
SCN9A Q15858 2/20 0.40
CSF1R P07333 1/20 0.40
TRPA1 O75762 2/20 0.40
RET P07949 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
JAK3 P52333 2/20 0.39

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
SCHEMBL20437212 1.00 HDAC4 (0.43) HDAC4HDAC1HDAC6FLT3SRC
SCHEMBL20422528 0.88 FLT3 (0.45) FLT3CSF1RTRPA1RETJAK3
SCHEMBL20422524 0.88 FLT3 (0.45) FLT3CSF1RTRPA1RETJAK3
SCHEMBL20443962 0.87 FLT3 (0.41) FLT3CSF1RTRPA1RETJAK3
SCHEMBL20437215 0.85 ITGB3 (0.53) PTPN1SCN9ACSF1RTRPA1HDAC8
SCHEMBL20422138 0.83 FLT3 (0.48) FLT3CSF1RTRPA1RETJAK3
SCHEMBL20422137 0.83 FLT3 (0.48) FLT3CSF1RTRPA1RETJAK3
SCHEMBL7361331 0.76 BCL2 (0.61) PTPN1SCN9AHDAC8
SCHEMBL7372617 0.74 HDAC8 (0.56) HDAC4HDAC1HDAC6PTPN1SCN9A
SCHEMBL20422146 0.74 KIT (0.43) FLT3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
WO-2018138293-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-08-02 WO disclosed