Sugi Predict

Sugi Predict / Compounds / SCHEMBL4793059

SCHEMBL4793059

SCHEMBL4793059

CC1(C)OCC(COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ MAPK14 Q16539 10/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ F2RL3 Q96RI0 1/20 0.32
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL3863406 0.96 MAPK14 (0.37) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL13646292 0.96 MAPK14 (0.37) JAK2NTRK1MAPK14CCNKCDK12
SCHEMBL3864307 0.84 DGAT1 (0.42) MAPK14DGAT1
SCHEMBL30855733 0.68 DGAT1 (0.39) DGAT1
SCHEMBL31411454 0.66 DGAT1 (0.38) DGAT1
SCHEMBL31411444 0.65 DGAT1 (0.36) DGAT1
SCHEMBL25366051 0.64 DGAT1 (0.45) DGAT1
SCHEMBL29493833 0.64 DGAT1 (0.45) DGAT1
SCHEMBL15906056 0.64 MAPK14 (0.47) JAK2NTRK1MAPK14
SCHEMBL4014501 0.63 BRD4 (0.38) MAPK14DGAT1

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
EP-1919913-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP disclosed
WO-2007023110-A2 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
Send feedback