SCHEMBL13069126

SCHEMBL13069126

CCNC(=O)c1n[nH]c2cc(-c3nc(C)cs3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 7/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HAO1 Q9UJM8 2/20 0.46
▸ JAK2 O60674 3/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ TYK2 P29597 3/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACG P22612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40

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
SCHEMBL1176308 0.84 HAO1 (0.57) PAK1HAO1
SCHEMBL12059754 0.83 JAK1 (0.51) PAK1HAO1JAK2JAK1TYK2
SCHEMBL13923941 0.78 HAO1 (0.41) PAK1HAO1JAK2JAK1TYK2
SCHEMBL13923940 0.78 HAO1 (0.41) PAK1HAO1JAK2JAK1TYK2
SCHEMBL13923946 0.78 HAO1 (0.41) PAK1HAO1JAK2JAK1TYK2
SCHEMBL2088249 0.77 USP30 (0.40) PAK1HAO1JAK2JAK1TYK2
SCHEMBL2087392 0.77 USP30 (0.40) PAK1HAO1JAK2JAK1TYK2
SCHEMBL2087537 0.77 USP30 (0.40) PAK1HAO1JAK2JAK1TYK2
SCHEMBL2087666 0.77 DYRK1A (0.56) PAK1DYRK1AMAPK1GSK3B
SCHEMBL2087949 0.77 DYRK1A (0.56) PAK1DYRK1AMAPK1GSK3B

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-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 — — EP disclosed
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