SCHEMBL28884685

SCHEMBL28884685

COC(=O)c1ccc(C)c(CNc2cncc(-c3ncccn3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.44
▸ SRC P12931 5/20 0.44
▸ HIF1A Q16665 1/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ ALPL P05186 2/20 0.39
▸ BCR P11274 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ NEK1 Q96PY6 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL28884710 0.89 KDM4C (0.43) ABL1SRCCYP11B2ALPLKDM4C
SCHEMBL29934030 0.89 KDM4C (0.43) ABL1SRCCYP11B2ALPLKDM4C
SCHEMBL31359374 0.88 MKNK1 (0.38) ABL1SRCCYP11B2ALPLKDM4C
SCHEMBL23501668 0.82 PKM (0.44) ABL1SRCHIF1AALOX5HTT
SCHEMBL29933965 0.82 PKM (0.44) ABL1SRCHIF1AALOX5HTT
SCHEMBL29934041 0.82 KCNH2 (0.43) ABL1SRCCYP11B2KDM4CRAB9A
SCHEMBL28884674 0.78 DDR1 (0.47) SLC2A1CYP19A1CYP11B1CYP11B2ALOX15
SCHEMBL29932961 0.78 CNR1 (0.42) —
SCHEMBL29932952 0.78 CNR1 (0.42) —
SCHEMBL31359380 0.76 MKNK1 (0.53) CYP11B2KDM4C

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-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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