SCHEMBL1704773

SCHEMBL1704773

Cc1cc(Nc2cccc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)n2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.51
TBK1 Q9UHD2 5/20 0.46
ACHE P22303 2/20 0.45
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
RET P07949 1/20 0.43
LRRK2 Q5S007 1/20 0.42
SYK P43405 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL901697 0.88 KARS1 (0.65) KARS1TBK1CKS1BSKP1SKP2
SCHEMBL1705645 0.88 KARS1 (0.56) KARS1TBK1RETLRRK2SYK
SCHEMBL1704340 0.85 KARS1 (0.64) KARS1CKS1BSKP1SKP2
SCHEMBL901674 0.85 KARS1 (0.62) KARS1TBK1CKS1BSKP1SKP2
SCHEMBL1704884 0.85 KARS1 (0.50) KARS1TBK1ACHECKS1BSKP1
SCHEMBL1704909 0.84 KARS1 (0.67) KARS1TBK1SYK
SCHEMBL1704417 0.81 KARS1 (0.76) KARS1
SCHEMBL1704599 0.80 CKS1B (0.51) ACHECKS1BSKP1SKP2RET
SCHEMBL21744945 0.78 RET (0.52) RET
SCHEMBL1704297 0.76 SYK (0.53) KARS1TBK1CKS1BSKP1SKP2

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