SCHEMBL24309377

SCHEMBL24309377

Cc1ccccc1Oc1nc(NSc2cccc(N)c2)nc(-c2ccccc2C)c1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30

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
SCHEMBL24310683 0.94 DHFR (0.31) —
SCHEMBL24309378 0.80 IGF1R (0.30) —
SCHEMBL29566992 0.79 POLB (0.39) —
SCHEMBL24309374 0.79 POLB (0.39) —
SCHEMBL24309360 0.74 DHFR (0.31) —
SCHEMBL29566908 0.73 POLB (0.37) —
SCHEMBL24310682 0.73 POLB (0.37) —
SCHEMBL24309802 0.73 MAPK14 (0.32) —
SCHEMBL24309629 0.68 P2RX3 (0.33) —
SCHEMBL24309830 0.67 IGF1R (0.32) —

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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