SCHEMBL1704561

SCHEMBL1704561

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.55
IDH2 P48735 1/20 0.53
SYK P43405 14/20 0.48
TAAR1 Q96RJ0 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
SCHEMBL902073 0.88 KARS1 (0.71) KARS1IDH2SYKTAAR1
SCHEMBL901986 0.86 SYK (0.50) KARS1IDH2SYK
SCHEMBL1704065 0.82 KARS1 (0.48) KARS1IDH2SYKTAAR1
SCHEMBL901924 0.82 IDH2 (0.48) IDH2SYK
SCHEMBL902820 0.77 KARS1 (0.74) KARS1IDH2SYK
SCHEMBL902659 0.77 IDH2 (0.56) KARS1IDH2SYK
SCHEMBL902026 0.75 TAAR1 (0.45) KARS1SYKTAAR1
SCHEMBL902494 0.75 IDH2 (0.56) KARS1IDH2SYK
SCHEMBL901917 0.74 KARS1 (0.53) KARS1IDH2SYK
SCHEMBL10268803 0.73 KARS1 (0.71) KARS1IDH2SYK

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 3 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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed