SCHEMBL29934010

SCHEMBL29934010

COC(=O)c1ccc(C)c(NCc2cncc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ DDR1 Q08345 4/20 0.48
▸ DDR2 Q16832 4/20 0.48
▸ PKM P14618 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C9 P11712 1/20 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
SCHEMBL23501655 1.00 HDAC8 (0.48) HDAC8HDAC1HDAC6DDR1DDR2
SCHEMBL23501607 0.88 HDAC8 (0.53) HDAC8HDAC1HDAC6DDR1DDR2
SCHEMBL28884674 0.82 DDR1 (0.47) HDAC8HDAC1HDAC6DDR1DDR2
SCHEMBL23501616 0.79 PKM (0.52) PKML3MBTL1SMN1; SMN2MAPTHTT
SCHEMBL31364809 0.79 PKM (0.52) PKML3MBTL1SMN1; SMN2MAPTHTT
SCHEMBL29933845 0.79 PKM (0.52) PKML3MBTL1SMN1; SMN2MAPTHTT
SCHEMBL23501641 0.78 MAPK1 (0.65) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL31359365 0.78 MAPK1 (0.65) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL29933949 0.78 MAPK1 (0.65) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL29933394 0.76 TAS1R3 (0.47) HDAC8HDAC1HDAC6DDR1DDR2

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-119371371-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2025-01-28 — — CN disclosed
CN-115315421-B Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2024-12-03 — — CN disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
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