SCHEMBL20505904

SCHEMBL20505904

CCOC(=O)c1cnc2c(N(C)c3ccccc3Cc3ccc(OC)cc3)cc(Nc3cc(C)cc(C)c3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.42
▸ PDE4D Q08499 5/20 0.41
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HKDC1 Q2TB90 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
SCHEMBL20505900 0.86 TYK2 (0.43) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL20557551 0.85 TYK2 (0.45) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL20506393 0.80 TYK2 (0.43) TYK2PDE4D
SCHEMBL24263379 0.76 TYK2 (0.46) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL20557221 0.76 MAPT (0.39) MAPTNPSR1ADORA3ADORA2AADORA2B
SCHEMBL20504574 0.73 IDO1 (0.37) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL16794637 0.73 TYK2 (0.45) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL24263290 0.71 GAA (0.37) TYK2PDE4DMAPTNPSR1ADORA3
SCHEMBL24263282 0.70 TYK2 (0.52) TYK2
SCHEMBL31245741 0.70 TYK2 (0.52) TYK2

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
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