SCHEMBL24287410

SCHEMBL24287410

Cc1cc(C)c(Nc2nc(C(C)(C)C)ccc2C(=N)N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAPGEF4 Q8WZA2 4/20 0.37
▸ LCK P06239 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CRHR1 P34998 1/20 0.33

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
SCHEMBL24287443 0.74 LMNA (0.32) LMNAGAARAPGEF4CRHR1
SCHEMBL24287479 0.73 RAPGEF4 (0.39) RAPGEF4FFAR4CRHR1
SCHEMBL24287546 0.69 GABRP (0.31) —
SCHEMBL2107802 0.66 PRSS1 (0.48) TP53
SCHEMBL24287444 0.64 — —
SCHEMBL17648477 0.63 NNMT (0.38) LMNAMAPTCRHR1
SCHEMBL29917985 0.63 NNMT (0.38) LMNAMAPTCRHR1
SCHEMBL5861890 0.61 — —
SCHEMBL5844695 0.61 LMNA (0.42) LMNAGAARAPGEF4LCKTP53
SCHEMBL17648456 0.61 ALDH1A1 (0.41) LMNAGAA

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-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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