SCHEMBL1704246

SCHEMBL1704246

CC(C)(C)OC(=O)N1CCN(c2cc(-c3nc(Nc4ccc(C#N)cn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
ACHE P22303 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
TBK1 Q9UHD2 1/20 0.40
LRRK2 Q5S007 1/20 0.40
WNT3A P56704 1/20 0.40
KIT P10721 2/20 0.40
SYK P43405 1/20 0.40
DYRK2 Q92630 3/20 0.40
RET P07949 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GBA1 P04062 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
SCHEMBL1704806 0.89 CKS1B (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL902548 0.88 JAK2 (0.41) LRRK2
SCHEMBL1705250 0.87 ACHE (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL901704 0.85 CKS1B (0.48) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL902751 0.84 CKS1B (0.47) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL901967 0.82 PRKD1 (0.48) LRRK2
SCHEMBL901912 0.81 CKS1B (0.52) CKS1BSKP1SKP2ACHEGPR119
SCHEMBL901954 0.76 FAAH (0.41) DYRK2
SCHEMBL1704933 0.76 KARS1 (0.53) GPR119TBK1SYK
SCHEMBL902855 0.75 KARS1 (0.40) CKS1BSKP1SKP2ACHEGPR119

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed