SCHEMBL21573083

SCHEMBL21573083

Cc1c(-c2ccccc2)cnc2ccc(C(C)c3cncn3C)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
PGGT1B P53609 3/20 0.38
HPGDS O60760 1/20 0.38
LDLR P01130 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CLK1 P49759 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL20474189 0.72 ALDH1A1 (0.50) MAOA
SCHEMBL21075974 0.71 RORC (0.47) RORC
SCHEMBL21538814 0.70 PSMB5 (0.36) TLR7CLK1
SCHEMBL18754515 0.70 FNTA (0.53) RORCFNTAFNTBPGGT1B
SCHEMBL20474245 0.69 PRNP (0.45) ATM
SCHEMBL28176611 0.68 PSMB5 (0.51)
SCHEMBL11166756 0.68 TLR7 (0.51) TLR7
SCHEMBL20799508 0.67 KDM4E (0.50)
SCHEMBL18754776 0.66 RORC (0.38) RORCFNTAFNTBLDLRPCSK9
SCHEMBL16632803 0.65 RORC (0.59) RORC

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-3057421-B1 ALKYL LINKED QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed