SCHEMBL31226344

SCHEMBL31226344

CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
BCDIN3D Q7Z5W3 1/20 0.44
TGFBR1 P36897 6/20 0.44
STS P08842 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
KDM1A O60341 1/20 0.43
GLS O94925 1/20 0.42
SYK P43405 1/20 0.42
GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL22943244 1.00 BRD4 (0.51) BRD4KDM4EPKMIDO1TDO2
SCHEMBL22943441 0.90 BRD4 (0.53) BRD4KDM4EPKMIDO1TDO2
SCHEMBL29577865 0.90 BRD4 (0.53) BRD4KDM4EPKMIDO1TDO2
SCHEMBL22944602 0.89 BRD4 (0.50) BRD4KDM4EPKMIDO1TDO2
SCHEMBL29579110 0.89 BRD4 (0.50) BRD4KDM4EPKMIDO1TDO2
SCHEMBL22944540 0.89 JAK2 (0.50) BRD4KDM4EPKMIDO1TDO2
SCHEMBL29578270 0.89 BRD4 (0.51) BRD4KDM4EPKMIDO1TDO2
SCHEMBL29578727 0.89 JAK2 (0.50) BRD4KDM4EPKMIDO1TDO2
SCHEMBL22944616 0.89 BRD4 (0.51) BRD4KDM4EPKMIDO1TDO2
SCHEMBL22944576 0.88 BRD4 (0.49) BRD4KDM4EPKMIDO1TDO2

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
CN-114728949-B Heterocyclic compounds as kinase inhibitors and uses thereof 曙方医药 2024-11-12 CN disclosed