SCHEMBL21415902

SCHEMBL21415902

CSc1ccc(C(CO)NC(=O)c2cnc3c(c2)CN(C)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.47
▸ ROCK2 O75116 8/20 0.41
▸ ROCK1 Q13464 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 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
SCHEMBL21415749 0.90 RORC (0.48) RORCROCK2ROCK1MAPK1
SCHEMBL21415871 0.90 RORC (0.48) RORCROCK2ROCK1MAPK1
SCHEMBL21415858 0.88 RORC (0.41) RORCROCK2ROCK1
SCHEMBL21415753 0.86 RORC (0.54) RORCROCK2
SCHEMBL21787414 0.86 RORC (0.48) RORCROCK2ROCK1MAPK1
SCHEMBL17695823 0.86 RORC (0.54) RORCROCK2
SCHEMBL21415814 0.85 RORC (0.47) RORCROCK2ROCK1MAPK1
SCHEMBL21415767 0.85 RORC (0.65) RORC
SCHEMBL17695826 0.85 RORC (0.65) RORC
SCHEMBL21415844 0.83 RORC (0.48) RORCROCK2ROCK1

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
Send feedback