SCHEMBL18534860

SCHEMBL18534860

CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C1CC(C#N)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.51
JAK1 P23458 11/20 0.51
JAK3 P52333 10/20 0.51
TYK2 P29597 1/20 0.42
SYK P43405 9/20 0.42
CYP2C9 P11712 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
SCHEMBL14746432 1.00 JAK2 (0.51) JAK2JAK1JAK3TYK2SYK
SCHEMBL14751202 1.00 JAK2 (0.51) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746566 1.00 JAK2 (0.51) JAK2JAK1JAK3TYK2SYK
SCHEMBL14752223 0.92 SYK (0.49) JAK2JAK1JAK3TYK2SYK
SCHEMBL14752133 0.92 SYK (0.49) JAK2JAK1JAK3TYK2SYK
SCHEMBL14751066 0.92 SYK (0.49) JAK2JAK1JAK3TYK2SYK
SCHEMBL14751262 0.92 SYK (0.47) JAK2JAK1JAK3TYK2SYK
SCHEMBL14751105 0.92 SYK (0.47) JAK2JAK1JAK3TYK2SYK
SCHEMBL14747010 0.91 SYK (0.46) JAK2JAK1JAK3TYK2SYK
SCHEMBL14737515 0.89 SYK (0.43) JAK2JAK1JAK3TYK2SYK

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed