Sugi Predict

Sugi Predict / Compounds / SCHEMBL13074403

SCHEMBL13074403

SCHEMBL13074403

CNc1cccc(Nc2ncc(C(N)=O)c(N[C@H](C)c3ccccc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 15/20 0.61
▸ EGFR P00533 1/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAP4K3 Q8IVH8 1/20 0.51
▸ MAP4K1 Q92918 1/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.51
▸ JAK3 P52333 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49

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
SCHEMBL914009 0.90 SYK (0.61) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL914191 0.90 SYK (0.61) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL914008 0.90 SYK (0.61) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL13074406 0.90 SYK (0.61) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL913675 0.85 CCNT1 (0.55) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL913674 0.85 CCNT1 (0.55) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL913932 0.85 CCNT1 (0.55) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL912893 0.85 SYK (0.58) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL912892 0.85 SYK (0.58) SYKEGFRMAPK8MAPK9MAP4K3
SCHEMBL913769 0.84 SYK (0.62) SYKEGFRMAPK8MAPK9

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed