SCHEMBL24933684

SCHEMBL24933684

C/C=C(\C=N)C(=O)Nc1cccc(-n2nc(Nc3ccc(N)c(C=N)c3)c3ccccc32)n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ RORC P51449 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
SCHEMBL24934332 0.85 RORC (0.34) RORC
SCHEMBL24934038 0.83 — —
SCHEMBL24934327 0.82 — —
SCHEMBL24934079 0.82 PYGM (0.40) RORC
SCHEMBL24934220 0.81 CNR1 (0.31) RORC
SCHEMBL24934167 0.81 CNR1 (0.33) —
SCHEMBL24933963 0.81 MAPK10 (0.31) —
SCHEMBL24934145 0.78 RORC (0.32) RORC
SCHEMBL24934259 0.75 ABCG2 (0.41) KITFLT3RORC
SCHEMBL24934070 0.70 GRM5 (0.31) —

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-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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