Sugi Predict

Sugi Predict / Compounds / SCHEMBL6546009

SCHEMBL6546009

SCHEMBL6546009

COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(-c4nc(C(=O)O)cs4)c3)c3ccccc23)c1OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.55
▸ GSK3A P49840 13/20 0.55
▸ SRC P12931 14/20 0.55
▸ SYK P43405 14/20 0.55
▸ LCK P06239 1/20 0.53

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
SCHEMBL6546838 0.93 MAPK14 (0.53) MAPK14GSK3ASRCSYK
SCHEMBL6546532 0.92 MAPK14 (0.52) MAPK14GSK3ASRCSYK
SCHEMBL6545943 0.92 GSK3A (0.67) MAPK14GSK3ASRCSYKLCK
SCHEMBL6546905 0.91 MAPK14 (0.55) MAPK14GSK3ASRCSYKLCK
SCHEMBL6546610 0.91 MAPK14 (0.55) MAPK14GSK3ASRCSYK
SCHEMBL6546731 0.91 MAPK14 (0.51) MAPK14GSK3ASRCSYK
SCHEMBL6545981 0.89 MAPK14 (0.50) MAPK14GSK3ASRCSYK
SCHEMBL6546404 0.89 MAPK14 (0.63) MAPK14GSK3ASRCSYKLCK
SCHEMBL6546703 0.88 GSK3A (0.54) MAPK14GSK3ASRCSYK
SCHEMBL6545962 0.87 SRC (0.52) MAPK14GSK3ASRCSYK

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-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 — — EP disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 — — WO disclosed