SCHEMBL1704625

SCHEMBL1704625

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.61
RAF1 P04049 5/20 0.48
BRAF P15056 5/20 0.48
SYK P43405 2/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL902673 0.91 KARS1 (0.65) KARS1SYK
SCHEMBL1704267 0.91 KARS1 (0.63) KARS1RAF1BRAFSYK
SCHEMBL1704251 0.91 KARS1 (0.73) KARS1SYK
SCHEMBL903001 0.91 KARS1 (0.62) KARS1SYK
SCHEMBL902092 0.90 KARS1 (0.68) KARS1RAF1BRAFALOX15TSHR
SCHEMBL1705312 0.90 KARS1 (0.73) KARS1SYK
SCHEMBL1704893 0.90 KARS1 (0.61) KARS1SYK
SCHEMBL1704942 0.88 KARS1 (0.64) KARS1RAF1BRAFSYK
SCHEMBL1704600 0.88 KARS1 (0.73) KARS1RAF1BRAFSYK
SCHEMBL1704596 0.88 KARS1 (0.48) KARS1SYK

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