SCHEMBL20505900

SCHEMBL20505900

CCOC(=O)c1cnc2c(N(Cc3ccc(OC)cc3)c3ccccc3C)cc(Nc3cc(C)cc(C)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.43
▸ PDE4D Q08499 4/20 0.40
▸ MAPT P10636 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL20557551 0.87 TYK2 (0.45) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL20505904 0.86 TYK2 (0.42) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL20506392 0.79 TYK2 (0.42) TYK2PDE4DPDE4BALDH1A1
SCHEMBL24263379 0.78 TYK2 (0.46) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL20557221 0.78 MAPT (0.39) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL20504574 0.75 IDO1 (0.37) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL16794637 0.75 TYK2 (0.45) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL24263290 0.73 GAA (0.37) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL30392961 0.73 FAAH (0.37) TYK2PDE4DMAPTADORA3ADORA2A
SCHEMBL26100287 0.73 FAAH (0.37) TYK2PDE4DMAPTADORA3ADORA2A

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-3377496-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2018-09-26 — — EP disclosed
Send feedback