SCHEMBL20688035

SCHEMBL20688035

CNc1cc(C)nc(N2CC[C@H](O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.54
▸ HRH4 Q9H3N8 4/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ PRKDC P78527 1/20 0.39
▸ IKBKB O14920 4/20 0.39
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ IDH2 P48735 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL20688036 0.92 TYK2 (0.56) TYK2HRH4EPHX2IKBKBIDH2
SCHEMBL20697158 0.85 TYK2 (0.47) TYK2HRH4PRKDCIKBKBKDM4E
SCHEMBL21227305 0.85 TYK2 (0.47) TYK2HRH4EPHX2PRKDCIKBKB
SCHEMBL22272972 0.81 TYK2 (0.55) TYK2HRH4EPHX2HRH3
SCHEMBL20697275 0.79 HRH4 (0.48) TYK2HRH4PRKDCIKBKBGRIN2D
SCHEMBL22873765 0.79 HRH4 (0.47) TYK2HRH4PRKDCIKBKBHRH3
SCHEMBL22873583 0.79 HRH4 (0.47) TYK2HRH4PRKDCIKBKBHRH3
SCHEMBL20697163 0.79 TYK2 (0.49) TYK2HRH4IKBKBIDH2KDM4E
SCHEMBL22272970 0.77 CRHBP (0.53) TYK2HRH4EPHX2KDM4EUSP2
SCHEMBL5789047 0.77 HRH4 (0.66) HRH4HRH3

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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