Sugi Predict

Sugi Predict / Compounds / SCHEMBL5740394

SCHEMBL5740394

SCHEMBL5740394

CN1CCC(c2nc(-c3ccncc3)c(N3C=C4CC=CC=C4C3)c(=O)n2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 5/20 0.34
▸ MAPK14 Q16539 5/20 0.34
▸ DRD2 P14416 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31

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
SCHEMBL5901807 0.77 MAPK14 (0.40) MAPK11MAPK14DRD2KDM1A
SCHEMBL5741788 0.74 MAPK14 (0.42) MAPK11MAPK14DRD2KDM1A
SCHEMBL5757020 0.73 CYP11B2 (0.38) MAPK11MAPK14BRD4CREBBP
SCHEMBL5740316 0.70 MAPK14 (0.39) MAPK11MAPK14DRD2
SCHEMBL5741723 0.65 GSK3B (0.54) —
SCHEMBL6364470 0.64 ADORA2A (0.42) MAPK11MAPK14KDM1A
SCHEMBL2077345 0.56 QDPR (0.50) MAPK11MAPK14
SCHEMBL27217308 0.56 GAA (0.40) MAPK11MAPK14DRD2BRD4CREBBP
SCHEMBL19995445 0.54 TNKS (0.45) MAPK11MAPK14
SCHEMBL20908872 0.53 QDPR (0.38) —

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-1654250-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2006-05-10 — — EP disclosed
WO-2005012286-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2005-02-10 — — WO disclosed