SCHEMBL5789403

SCHEMBL5789403

COc1cccc2c(=O)n(-c3c(C)ccc(C(N)=O)c3C3CC3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.51
▸ TNF P01375 3/20 0.38
▸ LITAF Q99732 3/20 0.38
▸ RPS6KB1 P23443 3/20 0.38
▸ AURKA O14965 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ IRAK4 Q9NWZ3 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
SCHEMBL1140469 0.69 MAPK14 (0.61) HTTNPSR1
SCHEMBL4882095 0.69 BTK (0.48) BTKMAPTKDM4ENPSR1
SCHEMBL5788459 0.69 IRAK4 (0.43) IRAK4
SCHEMBL29782315 0.68 BTK (1.00) BTK
SCHEMBL17699567 0.68 BTK (1.00) BTK
SCHEMBL3149529 0.68 PKMYT1 (0.33) —
SCHEMBL4889085 0.67 MAPK14 (0.51) BTKTRPA1MAPTLMNANPSR1
SCHEMBL23231088 0.64 HTR1A (0.48) TNFLITAFTRPA1KDM4EGLA
SCHEMBL31104438 0.64 HTR1A (0.48) TNFLITAFTRPA1KDM4EGLA
SCHEMBL30523106 0.64 ABCB1 (0.49) MEN1KMT2AHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 — — EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 — — WO disclosed
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