SCHEMBL28673129

SCHEMBL28673129

Oc1ccc(-c2nc(OCC3CNC3)c3cn[nH]c3n2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 18/20 0.61
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
CDK2 P24941 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL28687638 0.93 SGK1 (0.57) SGK1
SCHEMBL20699313 0.85 SGK1 (0.59) SGK1CDK2
SCHEMBL28689669 0.82 SGK1 (0.46) SGK1
SCHEMBL20699400 0.80 SGK1 (0.43) SGK1FGFR1FGFR2
Trifluoroacetic Acid SCHEMBL20699305 0.80 SGK1 (0.56) SGK1CDK2
SCHEMBL20699308 0.77 SGK1 (0.55) SGK1CDK2
SCHEMBL20699403 0.76 JAK3 (0.49) SGK1FGFR1FGFR2
SCHEMBL30161719 0.76 JAK3 (0.49) SGK1FGFR1FGFR2
Trifluoroacetic Acid SCHEMBL29607045 0.75 SGK1 (0.42) SGK1
SCHEMBL20699393 0.72 SGK1 (0.40) SGK1

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
CN-113831326-A Condensed heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-12-24 CN disclosed