SCHEMBL1705090

SCHEMBL1705090

CCCCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.54
FLT3 P36888 1/20 0.45
TYRO3 Q06418 1/20 0.45
MERTK Q12866 1/20 0.45
GAS6 Q14393 1/20 0.45
SYK P43405 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
TBK1 Q9UHD2 1/20 0.42
WNT3A P56704 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 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
SCHEMBL902630 0.93 KARS1 (0.52) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1705089 0.92 KARS1 (0.52) KARS1SYKGPR119TBK1WNT3A
SCHEMBL901759 0.91 KARS1 (0.54) KARS1SYKGPR119TBK1CKS1B
SCHEMBL902995 0.89 KARS1 (0.67) KARS1SYKGPR119TBK1WNT3A
SCHEMBL902211 0.89 KARS1 (0.58) KARS1SYK
SCHEMBL1705215 0.88 KARS1 (0.62) KARS1SYKGPR119TBK1WNT3A
SCHEMBL1704262 0.85 KARS1 (0.51) KARS1SYKGPR119TBK1WNT3A
SCHEMBL901989 0.85 KARS1 (0.56) KARS1SYKGPR119TBK1WNT3A
SCHEMBL901333 0.85 KARS1 (0.65) KARS1SYKGPR119TBK1CKS1B
SCHEMBL1704902 0.85 KARS1 (0.73) KARS1SYKGPR119

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