SCHEMBL1704425

SCHEMBL1704425

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.80
BRAF P15056 5/20 0.53
RAF1 P04049 4/20 0.52
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

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
SCHEMBL10268807 0.91 KARS1 (0.68) KARS1BRAF
SCHEMBL902092 0.91 KARS1 (0.68) KARS1BRAFRAF1ALOX15TSHR
SCHEMBL902055 0.89 KARS1 (0.88) KARS1
SCHEMBL901763 0.89 KARS1 (1.00) KARS1
SCHEMBL902653 0.89 KARS1 (0.80) KARS1BRAFRAF1
SCHEMBL901742 0.89 KARS1 (1.00) KARS1
SCHEMBL901750 0.87 KARS1 (0.81) KARS1
SCHEMBL1704625 0.87 KARS1 (0.61) KARS1BRAFRAF1ALOX15TSHR
SCHEMBL901595 0.86 KARS1 (0.86) KARS1
SCHEMBL1704268 0.86 KARS1 (1.00) KARS1BRAFRAF1

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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed