SCHEMBL20688790

SCHEMBL20688790

O=C(O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Nc3cccc(Br)n3)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ TYK2 P29597 8/20 0.36
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL20688791 0.86 TYK2 (0.45) TYK2
SCHEMBL20688849 0.76 TYK2 (0.60) TYK2
SCHEMBL21948511 0.74 TYK2 (0.69) TYK2STAT3
SCHEMBL20687954 0.73 TYK2 (0.61) ALDH1A1TYK2
SCHEMBL21227341 0.72 TYK2 (0.51) ALDH1A1KDM4EHPGDTYK2USP2
SCHEMBL20687891 0.72 TYK2 (0.70) TYK2
SCHEMBL22092692 0.72 POLB (0.44) ALDH1A1KDM4EHPGDTYK2TSHR
SCHEMBL20697305 0.70 TYK2 (0.69) TYK2
SCHEMBL25171145 0.70 KDM4E (0.37) ALDH1A1KDM4EHPGDUSP2TSHR
SCHEMBL30309818 0.70 KDM4E (0.46) ALDH1A1KDM4ETDP1PIM1CLK4

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
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — WO disclosed
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