SCHEMBL31157785

SCHEMBL31157785

CC1CN(C(=O)OC(C)(C)C)CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
GPR119 Q8TDV5 4/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP30 Q70CQ3 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
STS P08842 1/20 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
SCHEMBL25579580 1.00 BRD4 (0.48) BRD4GPR119JAK2JAK1KDM4E
SCHEMBL7389897 0.91 BRD4 (0.48) BRD4GPR119JAK2JAK1KDM4E
SCHEMBL7389891 0.91 BRD4 (0.48) BRD4GPR119JAK2JAK1KDM4E
SCHEMBL12635860 0.84 KDM4E (0.56) BRD4GPR119KDM4EPKML3MBTL1
SCHEMBL27187440 0.84 BRD4 (0.47) BRD4GPR119JAK2JAK1KDM4E
SCHEMBL25241327 0.84 HSD17B10 (0.49) KDM4EHSD17B10L3MBTL1TP53
SCHEMBL30352385 0.84 HSD17B10 (0.49) KDM4EHSD17B10L3MBTL1TP53
SCHEMBL25579584 0.84 KCNH2 (0.42) BRD4GPR119JAK2JAK1KDM4E
SCHEMBL21605864 0.83 ACKR3 (0.51) BRD4KDM4EPKMHSD17B10USP30
SCHEMBL23871348 0.83 ACKR3 (0.51) BRD4KDM4EPKMHSD17B10USP30

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-118804915-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2024-10-18 CN disclosed