SCHEMBL13110504

SCHEMBL13110504

CO[C@H]1CN(CC(=O)Nc2nc3c(s2)CN(C(C)C)CC3)C[C@@H]1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.53
▸ GCK P35557 1/20 0.41
▸ CHKA P35790 1/20 0.40

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
SCHEMBL8258187 0.90 F10 (0.55) F10
SCHEMBL8251764 0.88 F10 (0.52) F10
SCHEMBL13110499 0.86 F10 (0.51) F10GCK
SCHEMBL8260111 0.85 F10 (0.51) F10CHKA
SCHEMBL13110503 0.84 F10 (0.55) F10CHKA
SCHEMBL3449536 0.71 F10 (0.54) F10
SCHEMBL8259952 0.71 F10 (0.78) F10
SCHEMBL13395093 0.70 F10 (0.70) F10
SCHEMBL3313491 0.70 F10 (0.70) F10
SCHEMBL13110326 0.69 F10 (0.62) F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
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