SCHEMBL901986

SCHEMBL901986

O=C(O)NCCc1cccc(-c2cc(-c3ccccc3)cc(Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.50
IDH2 P48735 1/20 0.49
KARS1 Q15046 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
SCHEMBL901917 0.90 KARS1 (0.53) SYKIDH2KARS1
SCHEMBL1704561 0.86 KARS1 (0.55) SYKIDH2KARS1
SCHEMBL902028 0.85 CA12 (0.45) SYKIDH2
SCHEMBL901924 0.84 IDH2 (0.48) SYKIDH2
SCHEMBL902605 0.80 KARS1 (0.56) SYKKARS1
SCHEMBL901724 0.77 KARS1 (0.57) SYKIDH2KARS1
SCHEMBL12469132 0.76 KARS1 (0.72) SYKKARS1
SCHEMBL902073 0.74 KARS1 (0.71) SYKIDH2KARS1
SCHEMBL902494 0.73 IDH2 (0.56) SYKIDH2KARS1
SCHEMBL901864 0.73 KARS1 (0.49) SYKIDH2KARS1

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