SCHEMBL1704197

SCHEMBL1704197

Cc1ccnc(Nc2cccc(-c3cccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.49
SYK P43405 2/20 0.45
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
NAMPT P43490 1/20 0.45
WNT3A P56704 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL1705279 0.89 GRM1 (0.47) KARS1GRM5GRM1NAMPTWNT3A
SCHEMBL901312 0.88 KARS1 (0.54) KARS1SYK
SCHEMBL1704989 0.86 NAMPT (0.44) GRM5GRM1NAMPTJAK1
SCHEMBL901343 0.85 NAMPT (0.44) SYKGRM5GRM1NAMPTWNT3A
SCHEMBL902272 0.81 SYK (0.53) KARS1SYKWNT3A
SCHEMBL901697 0.81 KARS1 (0.65) KARS1SYK
SCHEMBL1704352 0.80 GRM1 (0.46) KARS1SYKGRM5GRM1NAMPT
SCHEMBL901325 0.80 GRM1 (0.50) GRM5GRM1NAMPTJAK1
SCHEMBL901674 0.78 KARS1 (0.62) KARS1SYK
SCHEMBL7831576 0.78 PDK4 (0.58) GRM5GRM1NAMPT

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