SCHEMBL901719

SCHEMBL901719

NC(=O)C1(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3ccnc(N4C[C@@H]5C[C@H]4CN5)c3)c2)C=CC=NC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.41
KARS1 Q15046 1/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL1704236 0.77 KARS1 (0.52) SYKKARS1BRAF
SCHEMBL902768 0.77 KARS1 (0.52) SYKKARS1BRAF
SCHEMBL1704640 0.75 KARS1 (0.56) SYKKARS1BRAF
SCHEMBL1704085 0.70 SYK (0.49) SYKKARS1
SCHEMBL1704435 0.69 KARS1 (0.49) SYKKARS1
SCHEMBL12971125 0.69 CHRNB2 (0.47)
SCHEMBL12818988 0.69 CHRNB2 (0.47)
SCHEMBL12143067 0.69 CHRNB2 (0.47)
Formic Acid SCHEMBL1367781 0.67 MCHR1 (0.44)
SCHEMBL1704571 0.66 SYK (0.46) SYKKARS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed