Sugi Predict

Sugi Predict / Compounds / SCHEMBL18524930

SCHEMBL18524930

SCHEMBL18524930

CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(Cl)cc(F)c34)nc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ SYK P43405 8/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ AVPR1B P47901 9/20 0.38
▸ MAP4K1 Q92918 1/20 0.34
▸ TYK2 P29597 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
SCHEMBL18524863 0.97 SYK (0.48) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14738975 0.89 JAK2 (0.57) JAK2JAK1JAK3SYKCYP2C9
Hydrochloric Acid SCHEMBL14737013 0.89 JAK2 (0.56) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL18524599 0.87 JAK2 (0.46) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14737734 0.86 SYK (0.58) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL18524936 0.86 SYK (0.46) JAK2JAK1JAK3SYKCYP2C9
Hydrochloric Acid SCHEMBL14737477 0.85 SYK (0.57) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL18524512 0.85 JAK2 (0.57) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14738977 0.80 SYK (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL18524552 0.80 SYK (0.49) JAK2JAK1JAK3SYKCYP2C9

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