SCHEMBL24934261

SCHEMBL24934261

N=Cc1cc(Nc2nn(-c3cccc(N)c3)c3ccccc23)ccc1NPI

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 3/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ KIT P10721 3/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ AHR P35869 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
SCHEMBL24934282 0.86 ABL1 (0.37) DDR2MAPK14ABL1KIT
SCHEMBL24934276 0.78 ABCB11 (0.35) —
SCHEMBL24934323 0.76 RORC (0.37) DDR2SRCMAPK9MAPK14RORC
SCHEMBL24934256 0.75 PSEN1 (0.36) SRCMAPK9MAPK14RORC
SCHEMBL24934295 0.73 ABCG2 (0.38) RORC
SCHEMBL24934259 0.72 ABCG2 (0.41) DDR2RORCABL1KITDDR1
SCHEMBL30163209 0.69 ROCK2 (0.48) —
SCHEMBL22890314 0.68 — —
SCHEMBL24934233 0.66 SCN9A (0.41) MAPK9MAPK14RORC
SCHEMBL4784150 0.64 RORC (0.51) MAPK14RORCABL1

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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