SCHEMBL18524481

SCHEMBL18524481

CC(C)(CO)NC(=O)Oc1c[nH]c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.53
MAP2K4 P45985 2/20 0.40
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL18524634 0.91 SYK (0.47) SYKCYP2D6KCNH2MAPK1
SCHEMBL14737663 0.85 SYK (0.71) SYKCYP2D6KCNH2JAK2JAK1
SCHEMBL18524700 0.85 SYK (0.53) SYKMAP2K4MAPK1GSK3BJAK2
SCHEMBL18524593 0.84 SYK (0.52) SYKMAP2K4MAPK1JAK2JAK1
SCHEMBL18524474 0.84 SYK (0.75) SYKCYP2D6KCNH2JAK2JAK1
SCHEMBL18524878 0.83 SYK (0.44) SYKCYP2D6
SCHEMBL18524671 0.82 SYK (0.45) SYKCYP2D6KCNH2
SCHEMBL18524743 0.81 SYK (0.43) SYKCYP2D6KCNH2MAPK1
SCHEMBL18524633 0.81 SYK (0.52) SYKMAP2K4CYP2D6MAPK1
SCHEMBL14752605 0.78 SYK (0.69) SYKCYP2D6KCNH2

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