SCHEMBL28477085

SCHEMBL28477085

Cn1ccnc1-c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.56
▸ CCKBR P32239 1/20 0.47
▸ NAMPT P43490 5/20 0.47
▸ CREBBP Q92793 1/20 0.46
▸ GLS O94925 3/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41

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
SCHEMBL507323 0.86 L3MBTL1 (0.52) BRD4NAMPTAKT1L3MBTL1HDAC1
SCHEMBL30504293 0.80 HDAC1 (0.56) BRD4NAMPTCREBBPGLSHDAC1
SCHEMBL31755970 0.79 BRD4 (0.49) BRD4NAMPTCREBBPGLSL3MBTL1
SCHEMBL4402738 0.79 BRD4 (0.49) BRD4NAMPTCREBBPGLSL3MBTL1
SCHEMBL301717 0.79 PRMT6 (0.56) BRD4NAMPTCREBBPGLSCYP2D6
SCHEMBL18664426 0.78 HDAC1 (0.60) BRD4CREBBPGLSHDAC1
SCHEMBL8279661 0.78 POLB (0.53) BRD4NAMPTCREBBPGLSCYP2D6
SCHEMBL16410240 0.77 BRD4 (0.53) BRD4CCKBRNAMPTCREBBPGLS
SCHEMBL5869091 0.76 RIPK2 (0.45) RIPK2
SCHEMBL31754920 0.76 GSK3B (0.53) BRD4CCKBRNAMPTCREBBPGLS

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-117069728-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-11-17 — — CN disclosed
CN-111868063-B PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-08-01 — — CN disclosed
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 — — CN disclosed
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