SCHEMBL24309954

SCHEMBL24309954

Cc1cccc(C)c1-c1cc(Oc2ccc(Cl)c(N3CCN(C)CC3)c2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.36
▸ HTR1B P28222 2/20 0.36
▸ HRH4 Q9H3N8 2/20 0.35
▸ MAP4K1 Q92918 2/20 0.34
▸ DRD2 P14416 5/20 0.33
▸ HTR7 P34969 5/20 0.33
▸ HTR6 P50406 5/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ AXL P30530 2/20 0.31
▸ CTSC P53634 2/20 0.31

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
SCHEMBL24310533 0.89 MAP4K1 (0.35) HRH4MAP4K1EGFR
SCHEMBL24309350 0.88 HTR3A (0.33) HTR7HTR6HTR2AHTR1A
SCHEMBL24310427 0.87 PLK1 (0.33) MAP4K1
SCHEMBL24309872 0.87 CCNA2 (0.40) SLC2A1
SCHEMBL24310751 0.86 MAP4K1 (0.34) MAP4K1DRD2HTR2AHTR1AEGFR
SCHEMBL24310284 0.85 MAP4K1 (0.37) HRH4MAP4K1DRD2HTR7HTR6
SCHEMBL29566991 0.83 HTR1D (0.37) HTR1DHTR1BHRH4MAP4K1DRD2
SCHEMBL26809817 0.83 HTR1D (0.37) HTR1DHTR1BHRH4MAP4K1DRD2
SCHEMBL24310753 0.83 MAP4K1 (0.37) MAP4K1EGFR
SCHEMBL24310550 0.83 LMNA (0.33) MAP4K1

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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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