SCHEMBL18524847

SCHEMBL18524847

COc1ccc2c(-c3cnc4[nH]cc(OC(=O)NC(C)(C)C)c4n3)nn(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.58
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
JAK3 P52333 1/20 0.52
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 3/20 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
SCHEMBL18524510 0.93 SYK (0.63) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524573 0.92 SYK (0.60) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524935 0.91 SYK (0.58) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524887 0.89 SYK (0.74) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524555 0.89 SYK (0.74) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524816 0.87 SYK (0.57) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524790 0.87 SYK (0.60) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524881 0.87 SYK (0.56) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524795 0.87 SYK (0.57) SYKJAK2JAK1JAK3CYP2D6
SCHEMBL18524640 0.87 SYK (0.59) SYKJAK2JAK1JAK3CYP2D6

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 claimed