Sugi Predict

Sugi Predict / Compounds / SCHEMBL4949036

SCHEMBL4949036

SCHEMBL4949036

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(NC3CC3)n2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.60
▸ GSK3A P49840 6/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SCARB1 Q8WTV0 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
SCHEMBL1599651 0.90 MAPK14 (0.73) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4948573 0.87 MAPK14 (0.52) MAPK14GSK3ASCARB1
SCHEMBL4949605 0.85 MAPK14 (0.67) MAPK14GSK3ASCARB1
SCHEMBL1600554 0.85 MAPK14 (0.57) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL1601023 0.85 MAPK14 (0.58) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL6165369 0.85 MAPK14 (0.58) MAPK14GSK3AKDM4EALDH1A1MAPT
SCHEMBL4418875 0.84 MAPK14 (0.59) MAPK14GSK3AMAPK8KDM4EALDH1A1
SCHEMBL4944531 0.83 MAPK14 (0.54) MAPK14MAPK8KDM4EMAPTSCARB1
SCHEMBL1599955 0.81 MAPK14 (0.62) MAPK14SCARB1
SCHEMBL4413474 0.80 MAPK14 (0.53) MAPK14GSK3AKDM4EALDH1A1MAPT

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
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 — — WO disclosed