SCHEMBL18534786

SCHEMBL18534786

Cn1nc(-c2cnc3c(n2)c(C(=O)N[C@H]2CCCC(C#N)C2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.45
JAK1 P23458 11/20 0.45
JAK3 P52333 10/20 0.45
TYK2 P29597 1/20 0.45
SYK P43405 8/20 0.43

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
SCHEMBL14747007 1.00 JAK2 (0.45) JAK2JAK1JAK3TYK2SYK
SCHEMBL14752197 1.00 JAK2 (0.45) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746993 0.91 SYK (0.45) JAK2JAK1JAK3TYK2SYK
SCHEMBL14750178 0.91 SYK (0.45) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746923 0.90 SYK (0.44) JAK2JAK1JAK3TYK2SYK
SCHEMBL14750190 0.90 SYK (0.44) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746987 0.88 SYK (0.46) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746951 0.88 SYK (0.45) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746957 0.87 SYK (0.47) JAK2JAK1JAK3TYK2SYK
SCHEMBL14746980 0.87 SYK (0.46) 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