SCHEMBL902996

SCHEMBL902996

COc1cc(Cl)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
LRRK2 Q5S007 1/20 0.46
SUV39H2 Q9H5I1 3/20 0.46
TBK1 Q9UHD2 3/20 0.44
PGK1 P00558 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
MAP4K4 O95819 1/20 0.43
POLB P06746 1/20 0.42
WNT3A P56704 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL901952 0.87 LMNA (0.45)
SCHEMBL17310093 0.82 SUV39H2 (0.49) CKS1BSKP1SKP2SUV39H2PGK1
SCHEMBL1704536 0.82 LMNA (0.45) CKS1BSKP1SKP2LRRK2SUV39H2
SCHEMBL1704732 0.82 KARS1 (0.52) CKS1BSKP1SKP2LRRK2TBK1
SCHEMBL902930 0.81 FLT3 (0.46) CKS1BSKP1SKP2LRRK2TBK1
SCHEMBL30546118 0.81 HRH3 (0.57) CKS1BSKP1SKP2LRRK2GPR119
SCHEMBL5682996 0.81 HRH3 (0.57) CKS1BSKP1SKP2LRRK2GPR119
SCHEMBL1704646 0.80 GPR119 (0.42) CKS1BSKP1SKP2LRRK2SUV39H2
SCHEMBL29157436 0.79 LRRK2 (0.54) CKS1BSKP1SKP2LRRK2TBK1
SCHEMBL901912 0.78 CKS1B (0.52) CKS1BSKP1SKP2LRRK2PGK1

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