SCHEMBL901758

SCHEMBL901758

COC(=O)c1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.49
SYK P43405 17/20 0.47
IDH2 P48735 1/20 0.46

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
SCHEMBL901980 0.91 SYK (0.55) KARS1SYKIDH2
SCHEMBL901783 0.82 KARS1 (0.56) KARS1SYK
SCHEMBL901977 0.81 KARS1 (0.65) KARS1SYKIDH2
SCHEMBL1704409 0.80 KARS1 (0.73) KARS1SYK
SCHEMBL901900 0.80 KARS1 (0.53) KARS1SYK
SCHEMBL902079 0.79 KARS1 (0.70) KARS1
SCHEMBL901656 0.77 KARS1 (0.63) KARS1
SCHEMBL1704871 0.76 KARS1 (0.44) KARS1SYKIDH2
SCHEMBL901922 0.76 ROCK1 (0.45) SYKIDH2
SCHEMBL902092 0.76 KARS1 (0.68) KARS1

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