SCHEMBL28348669

SCHEMBL28348669

CC(=O)Nc1nnc(-c2ccc(Br)cc2)s1.COc1ccc(-c2cnccc2Nc2ccc(-c3nnc(NC(C)=O)s3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 4/20 0.49
BLM P54132 1/20 0.48
PDE10A Q9Y233 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
DYRK1A Q13627 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DDX3X O00571 2/20 0.43

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
SCHEMBL20522279 0.95 RAB9A (0.58) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28348666 0.91 HDAC1 (0.55) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28352566 0.89 BLM (0.46) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28348731 0.88 RAB9A (0.52) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL20522361 0.83 KDM4E (0.49) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL20522282 0.83 RAB9A (0.57) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28352303 0.83 RAB9A (0.50) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28352563 0.80 HDAC1 (0.54) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL28348979 0.80 CSNK2A2 (0.47) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL28348729 0.79 HDAC1 (0.57) RAB9AKDM4EMAPTKMT2AMEN1

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-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
CN-110719910-A Novel inhibitors 前体生物药物股份公司 2020-01-21 CN disclosed