SCHEMBL902779

SCHEMBL902779

CC(C)(CC(=O)O)CC(=O)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.55
WNT3A P56704 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
SYK P43405 2/20 0.41
TBK1 Q9UHD2 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL901989 0.91 KARS1 (0.56) KARS1WNT3AGPR119SYKTBK1
SCHEMBL1705215 0.89 KARS1 (0.62) KARS1WNT3AGPR119SYKTBK1
SCHEMBL902797 0.88 KARS1 (0.71) KARS1
SCHEMBL1704770 0.88 KARS1 (0.59) KARS1WNT3AGPR119SYKTBK1
SCHEMBL1705021 0.87 KARS1 (0.61) KARS1WNT3AGPR119TBK1
SCHEMBL1704910 0.87 KARS1 (0.55) KARS1WNT3AGPR119SYKTBK1
SCHEMBL1704964 0.87 KARS1 (0.74) KARS1WNT3AGPR119SYKTBK1
SCHEMBL902995 0.87 KARS1 (0.67) KARS1WNT3AGPR119SYKTBK1
SCHEMBL901865 0.87 KARS1 (0.54) KARS1WNT3AGPR119SYKTBK1
SCHEMBL1704251 0.86 KARS1 (0.73) KARS1GPR119SYKTBK1CKS1B

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed