SCHEMBL23501668

SCHEMBL23501668

COC(=O)c1ccc(C)c(CNc2cncc(Br)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL29933965 1.00 PKM (0.44) PKMABL1SRCHKDC1SMN1; SMN2
SCHEMBL29934040 0.88 POLB (0.44) PKMSMN1; SMN2MAPTHTTMAPK1
SCHEMBL23501594 0.88 POLB (0.44) PKMSMN1; SMN2MAPTHTTMAPK1
SCHEMBL28884685 0.82 ABL1 (0.44) ABL1SRCHKDC1HIF1ACA1
SCHEMBL29933997 0.78 PKM (0.43) PKMSMN1; SMN2MAPTHTTMAPK1
SCHEMBL29933987 0.76 TAS1R3 (0.47) KDM4EMEN1KMT2A
SCHEMBL23501683 0.76 ATM (0.40) ABL1SRCHKDC1HIF1ACA1
SCHEMBL23501655 0.76 HDAC8 (0.48) PKMSMN1; SMN2MAPTHTTMAPK1
SCHEMBL29934020 0.76 ATM (0.40) ABL1SRCHKDC1HIF1ACA1
SCHEMBL29934010 0.76 HDAC8 (0.48) PKMSMN1; SMN2MAPTHTTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 — — WO disclosed
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