SCHEMBL21415787

SCHEMBL21415787

CCSc1ccc(C(CO)NC(=O)c2cnc3c(c2)CN(C)C3C)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.56
▸ MAPK1 P28482 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL21415768 0.90 RORC (0.62) RORCMAPK1ROCK2ROCK1
SCHEMBL21415915 0.88 RORC (0.56) RORC
SCHEMBL17695906 0.86 RORC (0.74) RORC
SCHEMBL17695822 0.86 RORC (0.74) RORC
SCHEMBL21415911 0.85 RORC (0.78) RORCMAPK1ROCK2ROCK1
SCHEMBL21415829 0.84 RORC (0.56) RORCMAPK1ROCK2ROCK1
SCHEMBL21415871 0.83 RORC (0.48) RORCMAPK1ROCK2ROCK1
SCHEMBL21415749 0.83 RORC (0.48) RORCMAPK1ROCK2ROCK1
SCHEMBL21415812 0.79 RORC (0.43) RORCMAPK1ROCK2ROCK1
SCHEMBL21415897 0.76 RORC (0.46) RORCMAPK1ROCK2ROCK1

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
EP-3207043-B3 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2019-10-02 — — EP disclosed
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