SCHEMBL13634938

SCHEMBL13634938

COCCN(C)c1nc(C(=O)Nc2ccc(CN3CCOCC3(C)C)cc2C(=O)O)cs1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRM2 Q14416 1/20 0.37
PIK3CA P42336 8/20 0.36
CHEK1 O14757 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
ALB P02768 2/20 0.33
PDE1B Q01064 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
F10 P00742 2/20 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
SCHEMBL13634789 0.94 JAK2 (0.37) JAK2JAK1GRM2PIK3CACHEK1
SCHEMBL13638877 0.92 KMT2A (0.38) JAK2JAK1GRM2PIK3CACHEK1
SCHEMBL13638782 0.92 JAK2 (0.36) JAK2JAK1GRM2PIK3CACHEK1
SCHEMBL13634678 0.91 JAK2 (0.35) JAK2JAK1GRM2PIK3CAIRAK4
SCHEMBL13270467 0.91 PIK3CA (0.34) JAK2JAK1PIK3CACHEK1IRAK4
SCHEMBL13634942 0.86 JAK2 (0.39) JAK2JAK1GRM2PIK3CAIRAK4
SCHEMBL13638907 0.84 NAPEPLD (0.37) JAK2JAK1GRM2IRAK4PDE1B
SCHEMBL13634937 0.82 IRAK4 (0.50) IRAK4
SCHEMBL13638769 0.81 KMT2A (0.37) JAK2JAK1GRM2CHEK1IRAK4
SCHEMBL13638772 0.81 KMT2A (0.37) JAK2JAK1GRM2CHEK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed