SCHEMBL902092

SCHEMBL902092

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.68
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAF1 P04049 5/20 0.50
BRAF P15056 5/20 0.50

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
SCHEMBL1704425 0.91 KARS1 (0.80) KARS1ALOX15TSHRCASP1NPSR1
SCHEMBL1704625 0.90 KARS1 (0.61) KARS1ALOX15TSHRCASP1NPSR1
SCHEMBL901421 0.90 KARS1 (0.82) KARS1
SCHEMBL901977 0.89 KARS1 (0.65) KARS1
SCHEMBL902036 0.89 KARS1 (0.81) KARS1
SCHEMBL901804 0.88 KARS1 (0.68) KARS1RAF1BRAF
SCHEMBL1704534 0.87 KARS1 (0.52) KARS1TSHR
SCHEMBL902563 0.86 KARS1 (0.65) KARS1RAF1BRAF
SCHEMBL901833 0.86 KARS1 (0.72) KARS1RAF1BRAF
SCHEMBL901791 0.86 KARS1 (0.81) KARS1RAF1BRAF

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 2 patents. 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed