SCHEMBL1704640

SCHEMBL1704640

O=C(Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4)c2)c1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 8/20 0.56
BRAF P15056 1/20 0.48
SYK P43405 8/20 0.46
WNT1 P04628 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
IDH2 P48735 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 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
SCHEMBL902768 0.91 KARS1 (0.52) KARS1BRAFSYKWNT1CLK2
SCHEMBL1704236 0.91 KARS1 (0.52) KARS1BRAFSYKWNT1CLK2
SCHEMBL1704276 0.90 KARS1 (0.68) KARS1BRAFWNT1CLK2CLK3
SCHEMBL901867 0.88 KARS1 (0.53) KARS1BRAFSYKIDH2MEN1
SCHEMBL901888 0.83 KARS1 (0.68) KARS1BRAFWNT1CLK2CLK3
SCHEMBL902653 0.83 KARS1 (0.80) KARS1BRAFSYK
SCHEMBL901977 0.82 KARS1 (0.65) KARS1SYKIDH2
SCHEMBL1755607 0.81 KARS1 (0.56) KARS1WNT1CLK2CLK3GSK3B
SCHEMBL901253 0.78 KARS1 (0.65) KARS1WNT1GSK3BDYRK1A
SCHEMBL1704893 0.78 KARS1 (0.61) 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 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